RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 -4.9026 -1.5251 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 -2.2100 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4393 -1.5085 0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -0.1145 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 0.5641 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7898 -0.1390 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 0.6372 1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 0.2678 1.3747 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2713 0.2523 0.1676 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0836 -0.0963 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -0.0195 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 0.2802 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 0.4915 3.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.1452 2.8983 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1165 -0.4600 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -0.2724 -1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 -1.1082 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 -2.1993 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -2.8305 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -2.3913 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -1.3208 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 -0.6855 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 1.5819 -0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 2.7873 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 3.9621 -0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5057 4.0273 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 2.8519 -2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7817 1.6263 -1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -2.0724 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -3.2906 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -2.0482 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 1.6451 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3132 0.3962 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.4570 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 1.7194 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 -0.5641 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 -2.5430 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 -3.6530 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7902 -2.8785 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6774 -0.9761 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 0.1444 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 2.8103 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 4.9113 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1863 2.9190 -3.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.7195 -2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 11 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 6 1 1 0 12 8 1 0 22 17 1 0 28 23 1 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 9 36 1 6 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 24 42 1 0 25 43 1 0 27 44 1 0 28 45 1 0 M CHG 1 14 -1 M END