@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440152 40 42 1 SMALL USER_CHARGES @ATOM 1 S1 31.6118 -23.4162 0.8138 S.3 1 noname -0.1926 2 C1 32.1638 -24.9581 0.2418 C.2 1 noname 0.0707 3 C2 33.1577 -22.7771 0.3758 C.2 1 noname 0.0499 4 N1 33.4227 -24.9501 -0.2300 N.2 1 noname -0.2152 5 C3 31.3558 -26.1140 0.2729 C.2 1 noname -0.0073 6 C4 34.0017 -23.7450 -0.1630 C.2 1 noname 0.0338 7 C5 33.4877 -21.3561 0.5619 C.3 1 noname 0.0401 8 C6 31.8337 -27.3519 -0.2119 C.2 1 noname 0.0256 9 C7 30.0437 -26.0500 0.7919 C.2 1 noname -0.0283 10 C8 35.3726 -23.5080 -0.6249 C.3 1 noname 0.0447 11 C9 32.5477 -20.4601 -0.2579 C.3 1 noname -0.0604 12 C10 31.0206 -28.4989 -0.1789 C.2 1 noname 0.0336 13 C11 29.2307 -27.1959 0.8270 C.2 1 noname -0.0342 14 S2 36.4175 -23.0289 0.7660 S.3 1 noname -0.0320 15 F1 31.4746 -29.6338 -0.6298 F 1 noname -0.1646 16 C12 29.7176 -28.4198 0.3420 C.2 1 noname 0.0059 17 C13 37.9684 -22.7459 0.0471 C.2 1 noname 0.0777 18 N2 38.1594 -22.8908 -1.2857 N.2 1 noname -0.2615 19 N3 39.0094 -22.3719 0.8281 N.2 1 noname -0.2615 20 C14 39.3663 -22.6708 -1.8567 C.2 1 noname 0.0379 21 C15 40.2373 -22.1398 0.3082 C.2 1 noname 0.0379 22 N4 39.5013 -22.8277 -3.1796 N.3 1 noname -0.1151 23 C16 40.4593 -22.2837 -1.0676 C.2 1 noname -0.0235 24 N5 41.2332 -21.7728 1.1252 N.3 1 noname -0.1151 25 H1 33.3817 -21.1081 1.6189 H 1 noname 0.0322 26 H2 34.5136 -21.1511 0.2580 H 1 noname 0.0322 27 H3 32.7796 -27.4239 -0.5929 H 1 noname 0.0660 28 H4 29.6677 -25.1710 1.1510 H 1 noname 0.0630 29 H5 35.3755 -22.7190 -1.3769 H 1 noname 0.0451 30 H6 35.7726 -24.4220 -1.0669 H 1 noname 0.0451 31 H7 32.8176 -19.4161 -0.0969 H 1 noname 0.0234 32 H8 32.6426 -20.6910 -1.3199 H 1 noname 0.0234 33 H9 31.5136 -20.6110 0.0550 H 1 noname 0.0234 34 H10 28.2847 -27.1389 1.2060 H 1 noname 0.0623 35 H11 29.1236 -29.2498 0.3681 H 1 noname 0.0653 36 H12 40.3592 -22.6757 -3.6045 H 1 noname 0.1257 37 H13 38.7362 -23.0947 -3.7115 H 1 noname 0.1257 38 H14 41.3772 -22.1137 -1.4786 H 1 noname 0.0689 39 H15 41.0642 -21.6778 2.0752 H 1 noname 0.1257 40 H16 42.1182 -21.6028 0.7692 H 1 noname 0.1257 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 11 1 12 7 25 1 13 7 26 1 14 8 12 1 15 8 27 1 16 9 13 2 17 9 28 1 18 10 14 1 19 10 29 1 20 10 30 1 21 11 31 1 22 11 32 1 23 11 33 1 24 12 15 1 25 12 16 2 26 13 16 1 27 13 34 1 28 14 17 1 29 16 35 1 30 17 18 2 31 17 19 1 32 18 20 1 33 19 21 2 34 20 22 1 35 20 23 2 36 21 24 1 37 21 23 1 38 22 36 1 39 22 37 1 40 23 38 1 41 24 39 1 42 24 40 1 @SUBSTRUCTURE 1 noname 1