RDKit 3D 39 40 0 0 0 0 0 0 0 0999 V2000 4.5338 2.2505 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 1.4509 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.8057 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 1.1139 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 0.0664 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7593 -0.3027 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 0.3518 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.0493 2.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 -1.3725 1.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -1.7413 1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 -2.5459 1.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 -0.8435 -0.2343 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5968 -0.1235 -0.0854 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.7603 -0.4961 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -1.9935 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 -0.1024 -2.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9784 0.3538 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 1.4058 -1.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5499 -0.0001 0.6778 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 2.5571 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 1.6563 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5305 3.1647 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 2.6382 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6026 1.4043 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 0.0388 1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -1.0943 2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 0.5832 3.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6007 -1.8010 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 -1.4596 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 0.8917 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 -0.2528 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 -2.2333 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -2.3261 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2711 -2.5999 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 -0.7017 -2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 0.9524 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -0.2452 -3.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 0.5685 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6485 -0.9691 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 7 2 1 0 12 5 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 12 29 1 6 13 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 19 38 1 0 19 39 1 0 M CHG 1 13 1 M END