RDKit 3D 49 51 0 0 0 0 0 0 0 0999 V2000 -4.3753 2.9303 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5055 1.6525 1.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 0.7439 0.3271 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4974 0.7437 -1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 0.9227 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -0.4258 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 -1.3204 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 -2.7812 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 -2.8831 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -2.2806 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -0.8258 0.2093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 -0.0277 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6211 1.4310 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 1.9501 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8121 1.4355 1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 0.6656 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 0.2095 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5195 -0.5567 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4073 -1.2224 -0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6359 -0.6119 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 -1.2345 2.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 0.1309 2.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 -0.6380 0.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9868 -1.0863 1.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 3.2412 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 3.6838 1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8603 2.9947 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 1.3173 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5886 -0.2896 -1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5112 1.1605 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 1.5300 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 1.4792 -0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 -3.2962 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -3.3074 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -2.1872 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -3.9083 -0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 -2.7016 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -2.5413 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -0.3415 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 -0.3478 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 1.9062 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 1.7919 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 1.6845 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 3.0670 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 1.7113 2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1107 0.4422 -1.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 -1.1334 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3256 -0.6157 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -2.2609 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 22 1 0 22 20 1 0 20 21 2 0 20 18 1 0 18 19 1 0 18 17 2 0 7 23 1 0 23 24 2 0 23 3 1 0 11 6 1 0 17 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 19 47 1 0 19 48 1 0 19 49 1 0 17 46 1 0 M END