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Better example
Browse files- examples/5ou2_fragments.sdf +38 -40
examples/5ou2_fragments.sdf
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5ou2_fragments
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135.6651 -15.3583 0.1325 N 0 0 0 0 0 0 0 0 0 0 0 0
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134.8356 -14.4706 -0.4078 C 0 0 0 0 0
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134.5969 -13.5549 0.5236 N 0 0 0 0 0 0 0 0 0 0 0 0
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135.2672 -13.8787 1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
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135.9361 -15.0095 1.3626 C 0 0 0 0 0
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135.2407 -13.1072 2.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
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135.5339 -13.7328 4.0539 C 0 0 0 0 0
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135.5239 -13.0695 5.2284 C 0 0 0 0 0
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135.1995 -11.7489 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
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134.9023 -11.1173 4.1089 C 0 0 0 0 0
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134.9113 -11.7774 2.9035 C 0 0 0 0 0
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135.1362 -10.8138 6.9517 Br 0 0 0 0 0 0 0 0 0 0 0 0
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126.8521 -19.0355 0.2522 N 0 0 0 0 0 0 0 0 0 0 0 0
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126.0921 -18.0299 -0.2360 C 0 0 0 0 0
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126.8721 -17.2548 -1.0322 N 0 0 0 0 0 0 0 0 0 0 0 0
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128.1098 -17.7707 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
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128.0889 -18.8815 -0.2256 C 0 0 0 0 0
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129.3145 -17.2106 -1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
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130.5850 -17.7185 -1.5264 C 0 0 0 0 0
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131.6879 -17.2095 -2.1865 C 0 0 0 0 0
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131.5211 -16.1844 -3.1052 C 0 0 0 0 0
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130.2586 -15.6644 -3.3699 C 0 0 0 0 0
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129.1548 -16.1795 -2.7058 C 0 0 0 0 0
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1 2
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2 3
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3 4
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4 6 1 0 0 0 0
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6 7
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8 9 4 0 0 0 0
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9 10 4 0 0 0 0
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9 12 1 0 0 0 0
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M END
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$$$$
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5ou2_fragments
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OpenBabel01242320583D
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23 25 0 0 0 0 0 0 0 0999 V2000
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135.6651 -15.3583 0.1325 N 0 0 0 0 0 0 0 0 0 0 0 0
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134.8356 -14.4706 -0.4078 C 0 0 0 0 0 3 0 0 0 0 0 0
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134.5969 -13.5549 0.5236 N 0 0 0 0 0 0 0 0 0 0 0 0
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135.2672 -13.8787 1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0
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135.9361 -15.0095 1.3626 C 0 0 0 0 0 2 0 0 0 0 0 0
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135.2407 -13.1072 2.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
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135.5339 -13.7328 4.0539 C 0 0 0 0 0 3 0 0 0 0 0 0
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135.5239 -13.0695 5.2284 C 0 0 0 0 0 3 0 0 0 0 0 0
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135.1995 -11.7489 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
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134.9023 -11.1173 4.1089 C 0 0 0 0 0 3 0 0 0 0 0 0
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134.9113 -11.7774 2.9035 C 0 0 0 0 0 3 0 0 0 0 0 0
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135.1362 -10.8138 6.9517 Br 0 0 0 0 0 0 0 0 0 0 0 0
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126.8521 -19.0355 0.2522 N 0 0 0 0 0 0 0 0 0 0 0 0
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126.0921 -18.0299 -0.2360 C 0 0 0 0 0 3 0 0 0 0 0 0
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126.8721 -17.2548 -1.0322 N 0 0 0 0 0 0 0 0 0 0 0 0
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128.1098 -17.7707 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
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128.0889 -18.8815 -0.2256 C 0 0 0 0 0 2 0 0 0 0 0 0
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129.3145 -17.2106 -1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
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130.5850 -17.7185 -1.5264 C 0 0 0 0 0 3 0 0 0 0 0 0
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131.6879 -17.2095 -2.1865 C 0 0 0 0 0 3 0 0 0 0 0 0
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131.5211 -16.1844 -3.1052 C 0 0 0 0 0 3 0 0 0 0 0 0
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130.2586 -15.6644 -3.3699 C 0 0 0 0 0 3 0 0 0 0 0 0
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129.1548 -16.1795 -2.7058 C 0 0 0 0 0 3 0 0 0 0 0 0
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1 5 1 0 0 0 0
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2 1 2 0 0 0 0
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2 3 1 0 0 0 0
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3 4 2 0 0 0 0
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4 6 1 0 0 0 0
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5 4 1 0 0 0 0
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6 11 2 0 0 0 0
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6 7 1 0 0 0 0
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7 8 2 0 0 0 0
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8 9 1 0 0 0 0
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9 12 1 0 0 0 0
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10 9 2 0 0 0 0
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11 10 1 0 0 0 0
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14 13 2 0 0 0 0
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15 14 1 0 0 0 0
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16 15 2 0 0 0 0
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16 17 1 0 0 0 0
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17 13 1 0 0 0 0
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18 19 1 0 0 0 0
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18 16 1 0 0 0 0
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20 19 2 0 0 0 0
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21 20 1 0 0 0 0
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22 21 2 0 0 0 0
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22 23 1 0 0 0 0
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23 18 2 0 0 0 0
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M END
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$$$$
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