forked from enviPath/enviPy
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Tim Lorsbach
223
static/js/ketcher2/test/fixtures/super/sgroups.mol
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223
static/js/ketcher2/test/fixtures/super/sgroups.mol
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Ketcher 04131611202D 1 1.00000 0.00000 0
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73 65 0 0 0 999 V2000
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-0.7649 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1310 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0269 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9228 -2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6104 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.9335 -5.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0376 -5.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3500 -5.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8187 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0
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3 4 1 0 0 0
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4 5 1 0 0 0
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73 6 1 0 0 0
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6 7 1 0 0 0
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9 8 1 0 0 0
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10 9 1 0 0 0
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11 10 1 0 0 0
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12 11 1 0 0 0
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13 12 1 0 0 0
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14 13 1 0 0 0
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16 15 1 0 0 0
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17 16 1 0 0 0
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18 17 1 0 0 0
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19 18 1 0 0 0
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20 19 1 0 0 0
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21 20 1 0 0 0
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23 22 1 0 0 0
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24 23 1 0 0 0
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25 24 1 0 0 0
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26 25 1 0 0 0
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27 26 1 0 0 0
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28 27 1 0 0 0
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30 29 1 0 0 0
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31 30 1 0 0 0
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32 31 1 0 0 0
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33 32 1 0 0 0
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34 33 1 0 0 0
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35 34 1 0 0 0
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3 2 1 0 0 0
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37 36 1 0 0 0
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38 37 1 0 0 0
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39 38 1 0 0 0
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40 39 1 0 0 0
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41 40 1 0 0 0
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42 41 1 0 0 0
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44 43 1 0 0 0
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45 44 1 0 0 0
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46 45 1 0 0 0
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47 46 1 0 0 0
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48 47 1 0 0 0
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49 48 1 0 0 0
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50 51 1 0 0 0
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51 52 1 0 0 0
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52 53 1 0 0 0
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53 54 1 0 0 0
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54 55 1 0 0 0
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55 56 1 0 0 0
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56 57 1 0 0 0
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57 58 2 0 0 0
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58 59 1 0 0 0
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59 60 1 0 0 0
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60 61 1 0 0 0
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61 62 1 0 0 0
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62 63 1 0 0 0
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63 64 1 0 0 0
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64 65 1 0 0 0
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52 66 1 1 0 0
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55 67 1 1 0 0
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68 69 1 0 0 0
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69 70 1 0 0 0
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5 68 1 0 0 0
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71 72 1 0 0 0
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72 73 1 0 0 0
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70 71 1 0 0 0
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M STY 1 1 MUL
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M SLB 1 1 1
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M SAL 1 9 3 4 5 68 69 70 71 72 73
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M SPA 1 3 3 4 5
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M SBL 1 2 4 30
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M SMT 1 3
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M SDI 1 4 3.2666 -1.2559 3.2666 -2.7559
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M SDI 1 4 0.5790 -2.7559 0.5790 -1.2559
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M STY 1 2 GEN
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M SLB 1 2 2
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M SAL 2 3 11 12 10
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M SDI 2 4 3.5897 -4.6315 3.5897 -6.1315
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M SDI 2 4 0.9020 -6.1315 0.9020 -4.6315
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M STY 1 3 SRU
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M SLB 1 3 3
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M SCN 1 3 HT
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M SMT 3 n
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M SAL 3 3 18 19 17
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M SBL 3 2 13 16
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M SDI 3 4 3.6679 -8.3070 3.6679 -9.8070
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M SDI 3 4 0.9802 -9.8070 0.9802 -8.3070
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M STY 1 4 SUP
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M SLB 1 4 4
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M SAL 4 3 26 25 24
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M SBL 4 2 19 22
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M SMT 4 fgf
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M STY 1 5 DAT
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M SLB 1 5 5
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M SAL 5 3 33 32 31
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M SDT 5 fgfh
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M SDD 5 0.0000 0.0000 DR ALL 1 6
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M SED 5 absolute
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M STY 1 6 DAT
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M SLB 1 6 6
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M SAL 6 3 40 39 38
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M SDT 6 fgfh
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M SDD 6 0.0000 0.0000 DR ALL 1 6
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M SED 6 relative
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M STY 1 7 DAT
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M SLB 1 7 7
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M SAL 7 3 47 46 45
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M SDT 7 fgfh
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M SDD 7 0.0000 -0.0000 DR ALL 1 6
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M SED 7 attached
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M STY 1 8 DAT
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M SLB 1 8 8
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M SAL 8 15 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
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M SAL 8 3 65 66 67
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M SDT 8 MDLBG_FRAGMENT_STEREO F
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M SDD 8 6.5461 -2.8188 DR ALL 1 1
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M SED 8 abs
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M STY 1 9 DAT
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M SLB 1 9 9
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M SPL 1 9 8
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M SAL 9 15 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
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M SAL 9 3 65 66 67
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M SDT 9 MDLBG_FRAGMENT_COEFFICIENT F
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M SDD 9 10.1211 -2.9188 DR ALL 1 1
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M SED 9 3
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M STY 1 10 DAT
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M SLB 1 10 10
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M SPL 1 10 9
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M SAL 10 1 52
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M SDT 10 MDLBG_STEREO_KEY F
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M SDD 10 2.3500 -0.6750 DR ALL 1 1
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M SED 10 RS
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M STY 1 11 DAT
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M SLB 1 11 11
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M SPL 1 11 9
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M SAL 11 2 55 67
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M SDT 11 MDLBG_STEREO_KEY F
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M SDD 11 2.7411 -1.2437 DR ALL 1 1
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M SED 11 endo
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M STY 1 12 DAT
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M SLB 1 12 12
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M SPL 1 12 9
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M SAL 12 2 57 58
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M SDT 12 MDLBG_STEREO_KEY F
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M SDD 12 2.7830 -0.9250 DR ALL 1 1
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M SED 12 trans
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M END
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