RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 1.4894 -1.6733 -2.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -1.0131 -2.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 0.2127 -1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 -0.0199 -0.1893 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5428 -0.0692 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -1.0750 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 -1.0854 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 -0.1012 1.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9302 0.8608 2.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 0.9007 1.5093 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 1.0629 0.3689 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 1.0869 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 2.0542 1.1195 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 2.1917 1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 2.9746 2.0453 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 1.2920 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 0.3760 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 0.2549 -0.3403 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7681 -0.6412 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6348 -1.5741 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 -0.9263 0.0923 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8497 0.1973 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 1.4315 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 -2.5970 -3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -1.0470 -3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 -1.9312 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 0.8626 -1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5766 0.7204 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -0.9797 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 -1.8376 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4117 -1.8548 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8277 -0.0838 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 1.6496 2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 1.5694 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 2.6686 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 -1.2571 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 -0.1372 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -2.4487 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -1.9189 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4384 -0.6131 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5238 -1.6589 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3343 -0.1812 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8879 0.4225 1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 1.6381 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4695 2.2976 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 10 5 1 0 18 12 2 0 23 16 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 4 29 1 6 6 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 11 34 1 0 13 35 1 0 19 36 1 0 19 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 23 45 1 0 M CHG 1 21 1 M END