RDKit 3D 40 41 0 0 0 0 0 0 0 0999 V2000 -4.4205 -1.2915 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1651 0.1971 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 0.5080 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 1.3246 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 2.1047 1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 1.3112 1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 1.9931 2.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 0.4234 0.3994 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7811 0.1526 0.4605 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4375 0.5834 -0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 0.5634 -0.3940 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5644 1.4680 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 1.4471 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 -0.8556 -0.4165 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6241 -0.9817 -0.2257 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -1.5818 0.7078 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7222 -2.9696 0.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 -1.3067 0.7404 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6276 -1.5450 2.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -0.0868 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 -0.9139 -1.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8186 -1.5689 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 -1.8523 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1817 -1.5642 -1.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0086 0.7626 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0037 0.4169 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4364 2.5566 2.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 2.8921 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 1.4012 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 0.7326 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 0.9294 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 1.2752 -2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 2.5139 -1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 0.9663 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 -1.3844 -1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 -1.3260 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -1.2467 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0148 -3.3806 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -1.9747 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.6930 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 8 20 1 0 20 21 2 0 20 3 1 0 18 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 9 30 1 1 11 31 1 1 12 32 1 0 12 33 1 0 13 34 1 0 14 35 1 6 15 36 1 0 16 37 1 1 17 38 1 0 18 39 1 6 19 40 1 0 M END