ENTRY D01553 Drug ATOM 47 1 C8x C 24.4276 -18.8971 2 C8x C 24.4276 -17.4973 3 C8y C 25.6874 -16.7974 4 C8x C 26.8772 -17.4973 5 C8y C 26.8772 -18.8971 6 C8x C 25.6874 -19.5970 7 C1y C 25.6874 -15.3976 8 C2y C 24.4276 -14.6978 9 C2y C 24.4276 -13.2980 10 N1x N 25.6874 -12.5981 11 C2y C 26.8772 -13.2980 12 C2y C 26.8772 -14.6978 13 C7a C 28.0670 -15.3976 14 O7a O 29.3268 -14.6978 15 C1b C 30.5166 -15.3976 16 C1b C 31.7065 -14.6978 17 N1y N 32.9662 -15.3976 18 C1x C 34.1561 -14.6978 19 C1x C 35.3459 -15.3976 20 N1y N 35.3459 -16.7974 21 C1x C 34.1561 -17.4973 22 C1x C 32.9662 -16.7974 23 O6a O 28.0670 -16.7974 24 C1c C 36.6057 -17.4973 25 C8y C 37.7955 -16.7974 26 C8y C 36.6057 -18.8971 27 C8x C 37.7955 -19.5970 28 C8x C 37.7955 -20.9967 29 C8x C 36.5357 -21.6966 30 C8x C 35.3459 -20.9967 31 C8x C 35.3459 -19.5970 32 C8x C 37.7955 -15.3976 33 C8x C 38.9853 -14.6978 34 C8x C 40.1751 -15.3976 35 C8x C 40.1751 -16.7974 36 C8x C 38.9853 -17.4973 37 C1a C 28.0670 -12.5981 38 C1a C 23.2378 -12.5981 39 C7a C 23.2378 -15.3976 40 O6a O 23.2378 -16.7974 41 O7a O 22.0480 -14.6978 42 C1a C 20.7882 -15.3976 43 N2b N 28.0670 -19.5970 #+ 44 O3a O 29.3268 -18.8971 45 O3a O 28.0670 -20.9967 #- 46 X Cl 43.3945 -17.3573 47 X Cl 43.3945 -17.3573 BOND 49 1 21 22 1 2 22 17 1 3 7 8 1 4 13 23 2 5 8 9 2 6 20 24 1 7 9 10 1 8 24 25 1 9 10 11 1 10 24 26 1 11 11 12 2 12 12 7 1 13 4 5 1 14 12 13 1 15 5 6 2 16 26 27 2 17 27 28 1 18 28 29 2 19 29 30 1 20 30 31 2 21 31 26 1 22 13 14 1 23 6 1 1 24 14 15 1 25 15 16 1 26 25 32 2 27 32 33 1 28 33 34 2 29 34 35 1 30 35 36 2 31 36 25 1 32 3 7 1 33 11 37 1 34 16 17 1 35 9 38 1 36 8 39 1 37 39 40 2 38 1 2 2 39 39 41 1 40 2 3 1 41 41 42 1 42 3 4 2 43 5 43 1 44 17 18 1 45 43 44 2 46 18 19 1 47 43 45 1 48 19 20 1 49 20 21 1 BRACKET 1 41.9300 -18.1300 41.9300 -16.5900 1 44.1700 -16.5900 44.1700 -18.1300 1 2 ORIGINAL 1 46 REPEAT 1 47 ///