@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443983 59 63 1 SMALL USER_CHARGES @ATOM 1 Cl1 16.2441 -14.8984 -8.3672 Cl 1 noname -0.0642 2 C1 16.8410 -13.8213 -7.2011 C.2 1 noname 0.0349 3 C2 18.1530 -13.3023 -7.2701 C.2 1 noname 0.0270 4 C3 15.9950 -13.4333 -6.1420 C.2 1 noname -0.0097 5 F1 18.9740 -13.6252 -8.2341 F 1 noname -0.1617 6 C4 18.6010 -12.4042 -6.2860 C.2 1 noname -0.0008 7 C5 16.4479 -12.5462 -5.1419 C.2 1 noname -0.0240 8 C6 17.7519 -12.0242 -5.2329 C.2 1 noname -0.0392 9 N1 15.6639 -12.1172 -4.1179 N.3 1 noname 0.0049 10 C7 14.8038 -12.8661 -3.3718 C.2 1 noname 0.0442 11 N2 14.6748 -14.2011 -3.5888 N.2 1 noname -0.2405 12 C8 14.0368 -12.2631 -2.3508 C.2 1 noname -0.0127 13 C9 13.8317 -14.9821 -2.8758 C.2 1 noname 0.0481 14 C10 13.1567 -13.1011 -1.6217 C.2 1 noname 0.0543 15 C11 14.1037 -10.8910 -2.0277 C.2 1 noname 0.0174 16 N3 13.0786 -14.4230 -1.9027 N.2 1 noname -0.2501 17 C12 12.3486 -12.5650 -0.6057 C.2 1 noname 0.0349 18 C13 13.3106 -10.3570 -0.9947 C.2 1 noname 0.0245 19 C14 12.4066 -11.1950 -0.3006 C.2 1 noname 0.0519 20 N4 13.4316 -9.0349 -0.7216 N.3 1 noname -0.1248 21 O1 11.5845 -10.7279 0.6793 O.3 1 noname -0.2606 22 C15 13.7586 -8.5118 0.4904 C.2 1 noname 0.0452 23 C16 10.5684 -9.7708 0.3594 C.3 1 noname 0.0898 24 O2 14.0156 -9.2758 1.4494 O.2 1 noname -0.2726 25 N5 13.8026 -7.1598 0.6854 N.3 1 noname -0.0442 26 C17 9.7874 -9.3708 1.6095 C.3 1 noname 0.0736 27 C18 9.4694 -10.3388 -0.5425 C.3 1 noname -0.0003 28 C19 14.1345 -6.5937 1.9625 C.3 1 noname 0.0710 29 C20 13.4965 -6.2137 -0.3445 C.3 1 noname 0.0075 30 O3 8.5573 -8.8897 1.0875 O.3 1 noname -0.3785 31 C21 8.1913 -9.6317 -0.0724 C.3 1 noname 0.0494 32 C22 12.9734 -5.7276 2.4926 C.3 1 noname 0.2608 33 C23 12.2895 -5.3646 0.0825 C.3 1 noname -0.0341 34 F2 11.8954 -6.5226 2.8016 F 1 noname -0.2053 35 F3 13.3674 -5.0826 3.6396 F 1 noname -0.2053 36 C24 12.5724 -4.6845 1.4325 C.3 1 noname 0.0136 37 H1 15.0399 -13.7923 -6.0990 H 1 noname 0.0656 38 H2 19.5470 -12.0211 -6.3339 H 1 noname 0.0654 39 H3 18.0899 -11.3661 -4.5299 H 1 noname 0.0640 40 H4 15.7538 -11.1841 -3.8718 H 1 noname 0.1357 41 H5 13.7637 -15.9811 -3.0707 H 1 noname 0.1062 42 H6 14.7397 -10.2739 -2.5337 H 1 noname 0.0648 43 H7 11.7086 -13.1700 -0.0896 H 1 noname 0.0673 44 H8 13.3016 -8.4198 -1.4566 H 1 noname 0.1386 45 H9 10.9824 -8.8688 -0.0925 H 1 noname 0.0633 46 H10 10.3094 -8.5987 2.1735 H 1 noname 0.0593 47 H11 9.6103 -10.2447 2.2385 H 1 noname 0.0593 48 H12 9.3743 -11.4138 -0.3864 H 1 noname 0.0317 49 H13 9.6783 -10.1267 -1.5915 H 1 noname 0.0317 50 H14 15.0185 -5.9646 1.8415 H 1 noname 0.0498 51 H15 14.3685 -7.3557 2.7095 H 1 noname 0.0498 52 H16 13.2605 -6.6806 -1.2994 H 1 noname 0.0436 53 H17 14.3575 -5.5596 -0.4934 H 1 noname 0.0436 54 H18 7.8182 -8.9567 -0.8414 H 1 noname 0.0567 55 H19 7.4282 -10.3687 0.1805 H 1 noname 0.0567 56 H20 12.0954 -4.6026 -0.6724 H 1 noname 0.0282 57 H21 11.4114 -6.0056 0.1745 H 1 noname 0.0282 58 H22 13.3874 -3.9705 1.3016 H 1 noname 0.0328 59 H23 11.6823 -4.1455 1.7606 H 1 noname 0.0328 @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 6 8 2 9 6 38 1 10 7 9 1 11 7 8 1 12 8 39 1 13 9 10 1 14 9 40 1 15 10 11 2 16 10 12 1 17 11 13 1 18 12 14 1 19 12 15 2 20 13 16 2 21 13 41 1 22 14 17 2 23 14 16 1 24 15 18 1 25 15 42 1 26 17 19 1 27 17 43 1 28 18 20 1 29 18 19 2 30 19 21 1 31 20 22 1 32 20 44 1 33 21 23 1 34 22 24 2 35 22 25 1 36 23 26 1 37 23 27 1 38 23 45 1 39 25 28 1 40 25 29 1 41 26 30 1 42 26 46 1 43 26 47 1 44 27 31 1 45 27 48 1 46 27 49 1 47 28 32 1 48 28 50 1 49 28 51 1 50 29 33 1 51 29 52 1 52 29 53 1 53 30 31 1 54 31 54 1 55 31 55 1 56 32 34 1 57 32 35 1 58 32 36 1 59 33 36 1 60 33 56 1 61 33 57 1 62 36 58 1 63 36 59 1 @SUBSTRUCTURE 1 noname 1