@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444878 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 14.2609 -11.6414 1.8181 O.2 1 noname -0.3007 2 C1 14.3478 -10.6644 1.0842 C.2 1 noname 0.0610 3 C2 13.2728 -9.7924 1.0242 C.2 1 noname -0.0174 4 C3 15.4647 -10.4834 0.3382 C.2 1 noname 0.0157 5 C4 11.9518 -10.2924 0.9882 C.2 1 noname -0.0204 6 C5 13.4658 -8.3925 1.0093 C.2 1 noname -0.0204 7 C6 16.5556 -11.2513 0.4503 C.2 1 noname -0.0453 8 C7 10.8538 -9.4184 0.9323 C.2 1 noname -0.0482 9 C8 12.3678 -7.5165 0.9523 C.2 1 noname -0.0482 10 C9 17.7295 -11.0333 -0.3566 C.3 1 noname -0.0253 11 C10 11.0618 -8.0294 0.9133 C.2 1 noname -0.0436 12 C11 18.0085 -12.2642 -1.2375 C.3 1 noname 0.0371 13 C12 19.1834 -12.0632 -2.0394 C.2 1 noname 0.1391 14 O2 19.0873 -12.0602 -3.2583 O.2 1 noname -0.2544 15 O3 20.3563 -11.8932 -1.4304 O.3 1 noname -0.2095 16 C13 21.5341 -11.6941 -2.2133 C.3 1 noname 0.0453 17 H1 15.4826 -9.7494 -0.3296 H 1 noname 0.0660 18 H2 11.7868 -11.3003 1.0023 H 1 noname 0.0630 19 H3 14.4087 -8.0024 1.0443 H 1 noname 0.0630 20 H4 16.5705 -11.9952 1.1063 H 1 noname 0.0577 21 H5 9.9049 -9.7923 0.9063 H 1 noname 0.0622 22 H6 12.5197 -6.5075 0.9414 H 1 noname 0.0622 23 H7 17.6045 -10.1573 -0.9955 H 1 noname 0.0315 24 H8 18.5784 -10.8633 0.3074 H 1 noname 0.0315 25 H9 10.2638 -7.3944 0.8723 H 1 noname 0.0622 26 H10 18.1634 -13.1411 -0.6075 H 1 noname 0.0375 27 H11 17.1505 -12.4442 -1.8874 H 1 noname 0.0375 28 H12 22.3881 -11.5711 -1.5463 H 1 noname 0.0536 29 H13 21.7051 -12.5580 -2.8572 H 1 noname 0.0536 30 H14 21.4281 -10.7981 -2.8262 H 1 noname 0.0536 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 17 1 8 5 8 1 9 5 18 1 10 6 9 2 11 6 19 1 12 7 10 1 13 7 20 1 14 8 11 2 15 8 21 1 16 9 11 1 17 9 22 1 18 10 12 1 19 10 23 1 20 10 24 1 21 11 25 1 22 12 13 1 23 12 26 1 24 12 27 1 25 13 14 2 26 13 15 1 27 15 16 1 28 16 28 1 29 16 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1