RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 -4.3481 -2.4969 2.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9014 -1.2514 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0106 -1.5950 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -0.4742 0.9389 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1541 0.9616 0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 1.8116 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 1.0876 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -0.2770 -0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -0.8731 -1.7779 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 0.6704 -1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 1.6312 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 2.9663 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 3.2968 -1.7672 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 2.1881 -2.3015 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0262 0.9533 -2.6465 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 1.9731 -1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 2.8279 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 2.0172 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 0.7093 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3174 0.6837 -1.1804 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -0.5842 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5982 -1.7542 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -2.9894 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0932 -3.0740 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 -1.9216 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 -0.6849 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7153 -2.0316 2.8099 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 3.9338 -0.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 -1.1657 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 -2.9735 2.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -3.2417 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -2.2450 2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3029 -0.5900 2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6777 -2.3056 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3982 -0.7046 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8506 -2.0603 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 -0.3788 1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7296 1.3833 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 0.9031 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 2.7521 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 2.0553 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 2.5560 -3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 0.1926 -2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 3.9049 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 2.3531 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -1.7134 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.8829 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 -4.0360 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1972 0.1982 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 4.7682 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -1.3770 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 -2.0965 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 12 28 1 0 8 29 1 0 29 4 1 0 11 7 1 0 15 10 1 0 20 16 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 14 42 1 6 15 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 26 49 1 0 28 50 1 0 29 51 1 0 29 52 1 0 M CHG 1 4 1 M END