@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446281 48 51 1 SMALL USER_CHARGES @ATOM 1 F1 0.0869 -6.4484 -4.6154 F 1 noname -0.1517 2 C1 -0.8130 -5.5714 -4.2584 C.2 1 noname 0.0774 3 C2 -1.0180 -5.3173 -2.8814 C.2 1 noname 0.0369 4 C3 -1.5620 -4.8843 -5.2463 C.2 1 noname 0.0456 5 N1 -0.3161 -5.9413 -1.9014 N.3 1 noname -0.1119 6 C4 -1.9590 -4.3483 -2.4904 C.2 1 noname -0.0185 7 C5 -2.5130 -3.9293 -4.8183 C.2 1 noname -0.0126 8 C6 -1.3430 -5.1623 -6.6942 C.3 1 noname 0.4189 9 C7 -0.3231 -7.2721 -1.6544 C.2 1 noname 0.1217 10 C8 -2.7091 -3.6613 -3.4553 C.2 1 noname -0.0489 11 F2 -2.1501 -4.4323 -7.5381 F 1 noname -0.1660 12 F3 -0.0472 -4.8703 -7.0461 F 1 noname -0.1660 13 F4 -1.5911 -6.4852 -6.9702 F 1 noname -0.1660 14 O1 0.3777 -7.6581 -0.6924 O.2 1 noname -0.2542 15 N2 -1.0491 -8.1411 -2.4103 N.3 1 noname -0.1260 16 C9 -1.1192 -9.4870 -2.2493 C.2 1 noname -0.0184 17 C10 -1.1532 -10.2829 -3.4092 C.2 1 noname -0.0296 18 C11 -1.2092 -10.1129 -0.9883 C.2 1 noname -0.0296 19 C12 -1.2453 -11.6818 -3.3132 C.2 1 noname -0.0378 20 C13 -1.3053 -11.5108 -0.8913 C.2 1 noname -0.0378 21 C14 -1.3133 -12.3147 -2.0522 C.2 1 noname -0.0389 22 C15 -1.4164 -13.7276 -1.9552 C.2 1 noname -0.0235 23 C16 -0.4594 -14.5475 -1.2882 C.2 1 noname -0.0010 24 C17 -2.5474 -14.3356 -2.5471 C.2 1 noname -0.0332 25 C18 -0.6745 -15.9564 -1.2091 C.2 1 noname -0.0451 26 C19 0.7194 -14.0175 -0.7131 C.2 1 noname -0.0450 27 C20 -2.7504 -15.7185 -2.4671 C.2 1 noname -0.0509 28 C21 0.2793 -16.7593 -0.5431 C.2 1 noname 0.0272 29 C22 -1.8225 -16.5253 -1.7970 C.2 1 noname -0.0304 30 C23 1.6283 -14.8634 -0.0641 C.2 1 noname -0.0069 31 N3 1.3812 -16.1913 0.0000 N.2 1 noname -0.2697 32 N4 0.1573 -18.0912 -0.4160 N.3 1 noname -0.1165 33 H1 0.1927 -5.3843 -1.2924 H 1 noname 0.1386 34 H2 -2.1051 -4.1452 -1.5014 H 1 noname 0.0640 35 H3 -3.0710 -3.4163 -5.5013 H 1 noname 0.0629 36 H4 -3.3961 -2.9643 -3.1663 H 1 noname 0.0623 37 H5 -1.5232 -7.7671 -3.1672 H 1 noname 0.1385 38 H6 -1.1042 -9.8459 -4.3301 H 1 noname 0.0639 39 H7 -1.2113 -9.5519 -0.1363 H 1 noname 0.0639 40 H8 -1.2583 -12.2377 -4.1701 H 1 noname 0.0629 41 H9 -1.3723 -11.9388 0.0336 H 1 noname 0.0629 42 H10 -3.2454 -13.7676 -3.0330 H 1 noname 0.0629 43 H11 0.9343 -13.0215 -0.7621 H 1 noname 0.0645 44 H12 -3.5774 -16.1384 -2.8920 H 1 noname 0.0623 45 H13 -1.9905 -17.5313 -1.7480 H 1 noname 0.0630 46 H14 2.4762 -14.4814 0.3558 H 1 noname 0.0840 47 H15 0.8422 -18.5922 0.0509 H 1 noname 0.1258 48 H16 -0.6106 -18.5502 -0.7880 H 1 noname 0.1258 @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 8 1 8 5 9 1 9 5 33 1 10 6 10 2 11 6 34 1 12 7 10 1 13 7 35 1 14 8 11 1 15 8 12 1 16 8 13 1 17 9 14 2 18 9 15 1 19 10 36 1 20 15 16 1 21 15 37 1 22 16 17 2 23 16 18 1 24 17 19 1 25 17 38 1 26 18 20 2 27 18 39 1 28 19 21 2 29 19 40 1 30 20 21 1 31 20 41 1 32 21 22 1 33 22 23 1 34 22 24 2 35 23 25 1 36 23 26 2 37 24 27 1 38 24 42 1 39 25 28 2 40 25 29 1 41 26 30 1 42 26 43 1 43 27 29 2 44 27 44 1 45 28 31 1 46 28 32 1 47 29 45 1 48 30 31 2 49 30 46 1 50 32 47 1 51 32 48 1 @SUBSTRUCTURE 1 noname 1