@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446451 62 66 1 SMALL USER_CHARGES @ATOM 1 Cl1 21.6703 -11.6755 -0.4372 Cl 1 noname -0.0794 2 C1 21.8832 -12.3464 1.1058 C.2 1 noname -0.0060 3 C2 20.8772 -12.2744 2.0969 C.2 1 noname 0.0063 4 C3 23.1052 -12.9844 1.3969 C.2 1 noname -0.0075 5 N1 19.6851 -11.6653 1.8869 N.3 1 noname 0.0100 6 C4 21.1181 -12.8293 3.3670 C.2 1 noname -0.0408 7 C5 23.3571 -13.5374 2.6720 C.2 1 noname -0.0450 8 C6 18.6560 -12.2193 1.2000 C.2 1 noname 0.0360 9 C7 22.3401 -13.4593 3.6491 C.2 1 noname -0.0368 10 C8 24.5851 -14.1863 2.9511 C.2 1 noname -0.0508 11 N2 18.7390 -13.4672 0.6550 N.2 1 noname -0.2592 12 C9 17.4699 -11.4742 1.0430 C.2 1 noname 0.0073 13 N3 25.8311 -13.8742 2.5311 N.3 1 noname -0.0367 14 C10 24.7241 -15.3393 3.7221 C.2 1 noname 0.0183 15 C11 17.7339 -14.0492 -0.0479 C.2 1 noname 0.0119 16 C12 16.4058 -12.0381 0.3081 C.2 1 noname 0.0351 17 C13 26.6681 -14.8162 3.0031 C.2 1 noname -0.0511 18 C14 26.2811 -12.7492 1.7801 C.3 1 noname -0.0598 19 N4 26.0081 -15.7203 3.7402 N.2 1 noname -0.2399 20 C15 16.5518 -13.3171 -0.2209 C.2 1 noname -0.0219 21 N5 15.1667 -11.5671 -0.0048 N.3 1 noname -0.1545 22 C16 15.3827 -13.6291 -0.8818 C.2 1 noname -0.0003 23 C17 14.5447 -12.5191 -0.7678 C.2 1 noname -0.0025 24 C18 14.6347 -10.3720 0.4231 C.2 1 noname 0.1303 25 C19 13.3056 -12.4700 -1.4468 C.2 1 noname 0.0194 26 O1 15.3276 -9.5419 1.0522 O.2 1 noname -0.2247 27 O2 13.3136 -10.0910 0.2332 O.3 1 noname -0.1780 28 C20 12.4025 -13.5090 -1.6437 C.2 1 noname 0.0334 29 C21 12.7445 -11.4059 -2.1397 C.2 1 noname -0.0565 30 C22 12.6735 -8.8619 0.6032 C.3 1 noname 0.0713 31 N6 11.3674 -13.0620 -2.3746 N.2 1 noname -0.2926 32 N7 11.5764 -11.8149 -2.6607 N.3 1 noname -0.0169 33 C23 13.2885 -7.6558 -0.1316 C.3 1 noname -0.0356 34 C24 11.2094 -9.0068 0.1573 C.3 1 noname -0.0356 35 C25 12.6964 -8.6388 2.1273 C.3 1 noname -0.0356 36 C26 10.6854 -11.0218 -3.4246 C.3 1 noname -0.0366 37 H1 23.8172 -13.0554 0.6679 H 1 noname 0.0645 38 H2 19.5550 -10.7832 2.2680 H 1 noname 0.1357 39 H3 20.4001 -12.7783 4.0911 H 1 noname 0.0640 40 H4 22.4860 -13.8533 4.5802 H 1 noname 0.0630 41 H5 17.3978 -10.5431 1.4491 H 1 noname 0.0676 42 H6 23.9641 -15.8393 4.1852 H 1 noname 0.0860 43 H7 17.8418 -14.9852 -0.4389 H 1 noname 0.0847 44 H8 27.6761 -14.8322 2.8412 H 1 noname 0.1015 45 H9 25.5080 -11.9881 1.6812 H 1 noname 0.0436 46 H10 27.1331 -12.2901 2.2842 H 1 noname 0.0436 47 H11 26.5920 -13.0742 0.7862 H 1 noname 0.0436 48 H12 15.1936 -14.4901 -1.3978 H 1 noname 0.0650 49 H13 12.5015 -14.4590 -1.2866 H 1 noname 0.0863 50 H14 13.1485 -10.4739 -2.2417 H 1 noname 0.0816 51 H15 12.6984 -6.7607 0.0693 H 1 noname 0.0259 52 H16 14.3094 -7.4848 0.2073 H 1 noname 0.0259 53 H17 13.2964 -7.8458 -1.2056 H 1 noname 0.0259 54 H18 10.6484 -8.1068 0.4113 H 1 noname 0.0259 55 H19 11.1654 -9.1608 -0.9216 H 1 noname 0.0259 56 H20 10.7563 -9.8638 0.6563 H 1 noname 0.0259 57 H21 12.0714 -7.7827 2.3844 H 1 noname 0.0259 58 H22 12.3123 -9.5268 2.6314 H 1 noname 0.0259 59 H23 13.7114 -8.4447 2.4694 H 1 noname 0.0259 60 H24 9.7173 -10.9838 -2.9236 H 1 noname 0.0453 61 H25 10.5593 -11.4698 -4.4107 H 1 noname 0.0453 62 H26 11.0633 -10.0047 -3.5426 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 1 23 13 18 1 24 14 19 1 25 14 42 1 26 15 20 2 27 15 43 1 28 16 21 1 29 16 20 1 30 17 19 2 31 17 44 1 32 18 45 1 33 18 46 1 34 18 47 1 35 20 22 1 36 21 23 1 37 21 24 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