@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444371 62 65 1 SMALL USER_CHARGES @ATOM 1 Cl1 7.3131 -15.1963 0.2636 Cl 1 noname -0.0717 2 C1 8.7161 -16.1473 0.3207 C.2 1 noname 0.0246 3 C2 8.6611 -17.5423 0.5458 C.2 1 noname 0.0239 4 C3 9.9601 -15.5142 0.1427 C.2 1 noname -0.0073 5 N1 7.4530 -18.1533 0.6968 N.3 1 noname -0.1269 6 C4 9.8631 -18.2833 0.5598 C.2 1 noname 0.0154 7 C5 11.1481 -16.2602 0.1808 C.2 1 noname -0.0097 8 C6 7.1199 -19.0803 1.6369 C.2 1 noname 0.1234 9 C7 11.1161 -17.6552 0.3879 C.2 1 noname -0.0026 10 O1 7.9839 -19.4502 2.4690 O.2 1 noname -0.2701 11 C8 5.8068 -19.6193 1.7170 C.2 1 noname 0.1147 12 C9 12.3091 -18.4082 0.4219 C.2 1 noname 0.0138 13 C10 4.7567 -19.2432 0.8250 C.2 1 noname 0.1282 14 C11 5.4887 -20.5643 2.7121 C.2 1 noname 0.0444 15 O2 12.3041 -19.6122 0.0739 O.2 1 noname -0.2958 16 N2 13.4611 -17.8431 0.8569 N.3 1 noname -0.0727 17 O3 4.9196 -18.4181 -0.1009 O.2 1 noname -0.2690 18 N3 3.5106 -19.7782 0.9490 N.3 1 noname -0.1036 19 C12 4.1876 -21.1053 2.8201 C.2 1 noname 0.0279 20 C13 14.7171 -18.5141 0.9280 C.3 1 noname 0.0396 21 C14 3.1975 -20.6852 1.9101 C.2 1 noname 0.0704 22 C15 3.8105 -22.0453 3.7912 C.2 1 noname 0.0389 23 C16 15.7151 -17.7541 0.1410 C.2 1 noname -0.0472 24 C17 15.1501 -18.6421 2.4051 C.3 1 noname -0.0319 25 N4 1.9404 -21.1801 1.9942 N.2 1 noname -0.1689 26 N5 2.5365 -22.5042 3.8252 N.2 1 noname -0.1957 27 C18 16.3841 -18.3641 -0.9409 C.2 1 noname -0.0522 28 C19 16.0151 -16.4110 0.4561 C.2 1 noname -0.0522 29 C20 14.1960 -19.5681 3.1782 C.3 1 noname -0.0391 30 C21 1.5954 -22.0841 2.9413 C.2 1 noname 0.1242 31 C22 17.3341 -17.6500 -1.6909 C.2 1 noname -0.0592 32 C23 16.9651 -15.6939 -0.2918 C.2 1 noname -0.0592 33 C24 14.6560 -19.7171 4.6343 C.3 1 noname -0.0076 34 O4 0.3143 -22.5381 2.9763 O.3 1 noname -0.2091 35 C25 17.6251 -16.3139 -1.3658 C.2 1 noname -0.0613 36 N6 13.7429 -20.6101 5.3484 N.3 1 noname -0.3304 37 C26 -0.0737 -23.4871 3.9714 C.3 1 noname 0.0456 38 H1 10.0110 -14.5061 -0.0151 H 1 noname 0.0639 39 H2 6.7449 -17.8482 0.1099 H 1 noname 0.1375 40 H3 9.8220 -19.2943 0.6999 H 1 noname 0.0648 41 H4 12.0371 -15.7761 0.0468 H 1 noname 0.0631 42 H5 6.2057 -20.8672 3.3752 H 1 noname 0.0640 43 H6 13.4271 -16.9200 1.1490 H 1 noname 0.1320 44 H7 2.8205 -19.4981 0.3290 H 1 noname 0.1390 45 H8 14.6361 -19.5281 0.5270 H 1 noname 0.0520 46 H9 4.4875 -22.3872 4.4743 H 1 noname 0.0848 47 H10 16.1551 -19.0641 2.4501 H 1 noname 0.0286 48 H11 15.1551 -17.6610 2.8822 H 1 noname 0.0286 49 H12 16.1800 -19.3341 -1.1858 H 1 noname 0.0626 50 H13 15.5410 -15.9509 1.2342 H 1 noname 0.0626 51 H14 13.1889 -19.1500 3.1632 H 1 noname 0.0280 52 H15 14.1820 -20.5501 2.7032 H 1 noname 0.0280 53 H16 17.8131 -18.1009 -2.4709 H 1 noname 0.0622 54 H17 17.1750 -14.7238 -0.0557 H 1 noname 0.0622 55 H18 15.6620 -20.1371 4.6613 H 1 noname 0.0425 56 H19 14.6590 -18.7410 5.1204 H 1 noname 0.0425 57 H20 18.3151 -15.7948 -1.9098 H 1 noname 0.0622 58 H21 14.0539 -20.6370 6.3215 H 1 noname 0.1184 59 H22 12.8238 -20.1610 5.3424 H 1 noname 0.1184 60 H23 0.0762 -23.0710 4.9695 H 1 noname 0.0536 61 H24 0.5092 -24.4031 3.8675 H 1 noname 0.0536 62 H25 -1.1298 -23.7231 3.8415 H 1 noname 0.0536 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 38 1 8 5 8 1 9 5 39 1 10 6 9 2 11 6 40 1 12 7 9 1 13 7 41 1 14 8 10 2 15 8 11 1 16 9 12 1 17 11 13 1 18 11 14 2 19 12 15 2 20 12 16 1 21 13 17 2 22 13 18 1 23 14 19 1 24 14 42 1 25 16 20 1 26 16 43 1 27 18 21 1 28 18 44 1 29 19 22 1 30 19 21 2 31 20 23 1 32 20 24 1 33 20 45 1 34 21 25 1 35 22 26 2 36 22 46 1 37 23 27 2 38 23 28 1 39 24 29 1 40 24 47 1 41 24 48 1 42 25 30 2 43 26 30 1 44 27 31 1 45 27 49 1 46 28 32 2 47 28 50 1 48 29 33 1 49 29 51 1 50 29 52 1 51 30 34 1 52 31 35 2 53 31 53 1 54 32 35 1 55 32 54 1 56 33 36 1 57 33 55 1 58 33 56 1 59 34 37 1 60 35 57 1 61 36 58 1 62 36 59 1 63 37 60 1 64 37 61 1 65 37 62 1 @SUBSTRUCTURE 1 noname 1