RDKit 3D 58 61 0 0 0 0 0 0 0 0999 V2000 -4.1756 2.8182 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 1.4980 -0.5522 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6100 0.3753 -0.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0883 -0.3696 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9697 -1.4355 -1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 -1.7583 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9408 -1.0252 1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0549 0.0378 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4316 -3.1793 0.3160 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.0846 -4.1530 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4365 -3.4831 1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9530 -2.5663 -0.0326 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 1.1848 0.0827 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6172 -0.0541 -0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2602 2.3716 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 2.0468 0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 2.2667 1.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 1.9807 2.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 2.1878 3.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 1.4428 1.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 1.2523 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 1.5442 -0.1911 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 0.7325 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4395 0.5278 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 0.9717 2.2349 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 -0.0160 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 0.4410 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -0.0929 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 -1.0870 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -1.5442 -0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 -1.0126 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 -1.5215 -0.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 -2.5689 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2048 2.8368 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 2.9766 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 3.6769 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 1.6133 -1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7717 -0.1455 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -2.0236 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2597 -1.2854 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 0.5890 1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5499 -2.6400 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9585 -1.6301 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 0.9411 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 -0.3501 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 0.1809 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3387 -0.8715 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 3.1634 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 2.6926 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4004 2.6973 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 0.5246 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 1.2255 1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 0.2730 1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 -2.3189 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -1.4036 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2544 -3.4738 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8547 -2.8063 -1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -2.2546 -2.4583 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 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 2 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 29 32 1 0 32 33 1 0 8 3 1 0 22 16 2 0 25 20 1 0 31 26 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 4 38 1 0 5 39 1 0 7 40 1 0 8 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 17 50 1 0 23 51 1 0 27 52 1 0 28 53 1 0 30 54 1 0 31 55 1 0 33 56 1 0 33 57 1 0 33 58 1 0 M CHG 1 13 1 M END