@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440154 40 42 1 SMALL USER_CHARGES @ATOM 1 S1 13.6626 -23.2379 0.8108 S.3 1 noname -0.1914 2 C1 14.2066 -24.7839 0.2418 C.2 1 noname 0.0709 3 C2 15.1916 -22.5959 0.3198 C.2 1 noname 0.0511 4 N1 15.4535 -24.7758 -0.2621 N.2 1 noname -0.2141 5 C3 13.4035 -25.9409 0.3058 C.2 1 noname 0.0088 6 C4 16.0276 -23.5668 -0.2251 C.2 1 noname 0.0340 7 C5 15.5115 -21.1688 0.4688 C.3 1 noname 0.0402 8 C6 12.1105 -25.8778 0.8709 C.2 1 noname 0.0222 9 C7 13.8665 -27.1798 -0.1911 C.2 1 noname 0.0222 10 C8 17.3885 -23.3298 -0.7170 C.3 1 noname 0.0447 11 C9 14.5305 -20.3018 -0.3351 C.3 1 noname -0.0604 12 C10 11.2994 -27.0248 0.9369 C.2 1 noname 0.0497 13 C11 13.0564 -28.3278 -0.1270 C.2 1 noname 0.0497 14 S2 18.4535 -22.8458 0.6549 S.3 1 noname -0.0320 15 F1 10.1093 -26.9517 1.4610 F 1 noname -0.1624 16 C12 11.7724 -28.2497 0.4370 C.2 1 noname 0.0553 17 F2 13.4964 -29.4627 -0.5910 F 1 noname -0.1624 18 C13 19.9964 -22.5627 -0.0819 C.2 1 noname 0.0777 19 N2 20.1613 -22.6577 -1.4229 N.2 1 noname -0.2615 20 N3 21.0574 -22.2377 0.6930 N.2 1 noname -0.2615 21 C14 21.3613 -22.4356 -2.0069 C.2 1 noname 0.0379 22 C15 22.2803 -22.0066 0.1611 C.2 1 noname 0.0379 23 N4 21.4673 -22.5405 -3.3378 N.3 1 noname -0.1151 24 C16 22.4743 -22.0985 -1.2238 C.2 1 noname -0.0235 25 N5 23.2953 -21.6906 0.9741 N.3 1 noname -0.1151 26 H1 15.4385 -20.9018 1.5239 H 1 noname 0.0322 27 H2 16.5235 -20.9568 0.1249 H 1 noname 0.0322 28 H3 11.7494 -24.9958 1.2399 H 1 noname 0.0660 29 H4 14.7984 -27.2518 -0.6050 H 1 noname 0.0660 30 H5 17.3754 -22.5438 -1.4730 H 1 noname 0.0451 31 H6 17.7815 -24.2448 -1.1630 H 1 noname 0.0451 32 H7 14.7894 -19.2507 -0.2030 H 1 noname 0.0234 33 H8 14.5924 -20.5517 -1.3950 H 1 noname 0.0234 34 H9 13.5104 -20.4617 0.0169 H 1 noname 0.0234 35 H10 11.1833 -29.0827 0.4830 H 1 noname 0.0684 36 H11 22.3183 -22.3825 -3.7738 H 1 noname 0.1257 37 H12 20.6872 -22.7745 -3.8648 H 1 noname 0.1257 38 H13 23.3873 -21.9265 -1.6458 H 1 noname 0.0689 39 H14 23.1443 -21.6325 1.9301 H 1 noname 0.1257 40 H15 24.1783 -21.5215 0.6111 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 26 1 13 7 27 1 14 8 12 1 15 8 28 1 16 9 13 2 17 9 29 1 18 10 14 1 19 10 30 1 20 10 31 1 21 11 32 1 22 11 33 1 23 11 34 1 24 12 15 1 25 12 16 2 26 13 17 1 27 13 16 1 28 14 18 1 29 16 35 1 30 18 19 2 31 18 20 1 32 19 21 1 33 20 22 2 34 21 23 1 35 21 24 2 36 22 25 1 37 22 24 1 38 23 36 1 39 23 37 1 40 24 38 1 41 25 39 1 42 25 40 1 @SUBSTRUCTURE 1 noname 1