@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446450 62 66 1 SMALL USER_CHARGES @ATOM 1 Cl1 21.0515 -13.3527 -4.8172 Cl 1 noname -0.0796 2 C1 22.1265 -13.7657 -3.5711 C.2 1 noname -0.0072 3 C2 21.7345 -13.7316 -2.2151 C.2 1 noname 0.0094 4 C3 23.4355 -14.1546 -3.9181 C.2 1 noname -0.0077 5 N1 20.4814 -13.3206 -1.8750 N.3 1 noname 0.0100 6 C4 22.6814 -14.0676 -1.2260 C.2 1 noname -0.0420 7 C5 24.3874 -14.5066 -2.9330 C.2 1 noname -0.0505 8 C6 19.6463 -13.9285 -0.9939 C.2 1 noname 0.0360 9 C7 23.9834 -14.4545 -1.5790 C.2 1 noname -0.0368 10 C8 25.7084 -14.8946 -3.2900 C.2 1 noname 0.0112 11 N2 19.9863 -15.0715 -0.3319 N.2 1 noname -0.2592 12 C9 18.3783 -13.3555 -0.7719 C.2 1 noname 0.0073 13 C10 26.7554 -15.2745 -2.4519 C.2 1 noname 0.0288 14 C11 26.2704 -14.9855 -4.5600 C.2 1 noname -0.0734 15 C12 19.1682 -15.7045 0.5481 C.2 1 noname 0.0119 16 C13 17.4992 -13.9774 0.1410 C.2 1 noname 0.0351 17 N3 27.8423 -15.5625 -3.1859 N.2 1 noname -0.2955 18 N4 27.5453 -15.3875 -4.4339 N.3 1 noname -0.0277 19 C14 17.9062 -15.1444 0.7811 C.2 1 noname -0.0220 20 N5 16.2362 -13.6664 0.5441 N.3 1 noname -0.1545 21 C15 28.4603 -15.5984 -5.4959 C.3 1 noname -0.0384 22 C16 16.8741 -15.5484 1.6012 C.2 1 noname -0.0003 23 C17 15.8541 -14.6054 1.4651 C.2 1 noname -0.0025 24 C18 15.4761 -12.6273 0.0582 C.2 1 noname 0.1303 25 C19 14.6851 -14.6793 2.2582 C.2 1 noname 0.0194 26 O1 15.9591 -11.7863 -0.7337 O.2 1 noname -0.2247 27 O2 14.1561 -12.5202 0.3782 O.3 1 noname -0.1780 28 C20 13.9870 -15.8223 2.6322 C.2 1 noname 0.0334 29 C21 14.0120 -13.6513 2.9022 C.2 1 noname -0.0565 30 C22 13.2890 -11.4642 -0.0546 C.3 1 noname 0.0713 31 N6 12.9539 -15.4712 3.4173 N.2 1 noname -0.2926 32 N7 12.9749 -14.1842 3.5693 N.3 1 noname -0.0169 33 C23 13.1119 -11.4631 -1.5846 C.3 1 noname -0.0356 34 C24 11.9229 -11.7571 0.5893 C.3 1 noname -0.0356 35 C25 13.7730 -10.0881 0.4393 C.3 1 noname -0.0356 36 C26 12.0269 -13.4671 4.3403 C.3 1 noname -0.0366 37 H1 23.6965 -14.1776 -4.9060 H 1 noname 0.0645 38 H2 20.1344 -12.5475 -2.3470 H 1 noname 0.1357 39 H3 22.4254 -14.0265 -0.2389 H 1 noname 0.0640 40 H4 24.6344 -14.6935 -0.8309 H 1 noname 0.0629 41 H5 18.1122 -12.5054 -1.2659 H 1 noname 0.0676 42 H6 26.7153 -15.3295 -1.4339 H 1 noname 0.0863 43 H7 25.8013 -14.7815 -5.4430 H 1 noname 0.0815 44 H8 19.4662 -16.5594 1.0191 H 1 noname 0.0847 45 H9 27.9983 -15.3904 -6.4619 H 1 noname 0.0453 46 H10 29.3202 -14.9404 -5.3659 H 1 noname 0.0453 47 H11 28.7983 -16.6344 -5.4789 H 1 noname 0.0453 48 H12 16.8791 -16.3603 2.2202 H 1 noname 0.0650 49 H13 14.2129 -16.7762 2.3513 H 1 noname 0.0863 50 H14 14.2600 -12.6612 2.8793 H 1 noname 0.0816 51 H15 12.3419 -10.7451 -1.8676 H 1 noname 0.0259 52 H16 14.0449 -11.1861 -2.0755 H 1 noname 0.0259 53 H17 12.8149 -12.4581 -1.9186 H 1 noname 0.0259 54 H18 11.1959 -11.0041 0.2864 H 1 noname 0.0259 55 H19 11.5729 -12.7411 0.2764 H 1 noname 0.0259 56 H20 12.0179 -11.7451 1.6764 H 1 noname 0.0259 57 H21 13.0189 -9.3311 0.2204 H 1 noname 0.0259 58 H22 13.9409 -10.1241 1.5164 H 1 noname 0.0259 59 H23 14.7020 -9.8111 -0.0566 H 1 noname 0.0259 60 H24 12.0518 -13.8271 5.3694 H 1 noname 0.0453 61 H25 11.0308 -13.6311 3.9294 H 1 noname 0.0453 62 H26 12.2419 -12.3971 4.3334 H 1 noname 0.0453 @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 37 1 8 5 8 1 9 5 38 1 10 6 9 2 11 6 39 1 12 7 10 1 13 7 9 1 14 8 11 2 15 8 12 1 16 9 40 1 17 10 13 1 18 10 14 2 19 11 15 1 20 12 16 2 21 12 41 1 22 13 17 2 23 13 42 1 24 14 18 1 25 14 43 1 26 15 19 2 27 15 44 1 28 16 20 1 29 16 19 1 30 17 18 1 31 18 21 1 32 19 22 1 33 20 23 1 34 20 24 1 35 21 45 1 36 21 46 1 37 21 47 1 38 22 23 2 39 22 48 1 40 23 25 1 41 24 26 2 42 24 27 1 43 25 28 1 44 25 29 2 45 27 30 1 46 28 31 2 47 28 49 1 48 29 32 1 49 29 50 1 50 30 33 1 51 30 34 1 52 30 35 1 53 31 32 1 54 32 36 1 55 33 51 1 56 33 52 1 57 33 53 1 58 34 54 1 59 34 55 1 60 34 56 1 61 35 57 1 62 35 58 1 63 35 59 1 64 36 60 1 65 36 61 1 66 36 62 1 @SUBSTRUCTURE 1 noname 1