@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442265 64 66 1 SMALL USER_CHARGES @ATOM 1 Cl1 18.9498 -22.8242 0.0909 Cl 1 noname -0.0607 2 C1 20.0417 -24.1021 0.3640 C.2 1 noname 0.0542 3 C2 21.4227 -23.8111 0.2480 C.2 1 noname 0.0560 4 C3 19.6107 -25.4200 0.7030 C.2 1 noname 0.0302 5 F1 21.8726 -22.6241 -0.0678 F 1 noname -0.1575 6 C4 22.3765 -24.8120 0.4731 C.2 1 noname 0.0108 7 C5 20.6026 -26.4159 0.9341 C.2 1 noname 0.0006 8 C6 18.1547 -25.7619 0.7931 C.3 1 noname 0.0348 9 C7 21.9695 -26.1049 0.8151 C.2 1 noname -0.0095 10 Cl2 20.2585 -28.0297 1.3341 Cl 1 noname -0.0816 11 S1 17.6827 -27.2048 -0.1917 S.3 1 noname -0.1008 12 C8 17.7007 -25.9528 2.2511 C.3 1 noname -0.0487 13 C9 17.7346 -26.7287 -1.8616 C.2 1 noname -0.0049 14 C10 16.6076 -26.8936 -2.6745 C.2 1 noname 0.0423 15 C11 18.8935 -26.1817 -2.4365 C.2 1 noname -0.0122 16 N1 16.6586 -26.5076 -3.9684 N.2 1 noname -0.2602 17 N2 15.4756 -27.4186 -2.1875 N.3 1 noname -0.1131 18 C12 18.9545 -25.7586 -3.7894 C.2 1 noname -0.0369 19 C13 17.7625 -25.9586 -4.5314 C.2 1 noname 0.0046 20 C14 20.1414 -25.1656 -4.3613 C.2 1 noname -0.0234 21 C15 21.3283 -24.9756 -3.6063 C.2 1 noname -0.0318 22 C16 20.1903 -24.7306 -5.7112 C.2 1 noname -0.0318 23 C17 22.4822 -24.3956 -4.1582 C.2 1 noname -0.0133 24 C18 21.3402 -24.1456 -6.2681 C.2 1 noname -0.0133 25 C19 22.5091 -23.9685 -5.5001 C.2 1 noname -0.0102 26 C20 23.6740 -23.3765 -6.0460 C.2 1 noname 0.0115 27 O1 24.7039 -23.2364 -5.3460 O.2 1 noname -0.2963 28 N3 23.7099 -22.9395 -7.3259 N.3 1 noname -0.0771 29 C21 24.8468 -22.3164 -7.9008 C.3 1 noname 0.0158 30 C22 24.5348 -21.9354 -9.3558 C.3 1 noname 0.0112 31 N4 23.3108 -21.1044 -9.4357 N.3 1 noname -0.3025 32 C23 23.6157 -19.6924 -9.1107 C.3 1 noname -0.0046 33 C24 22.6848 -21.2173 -10.7716 C.3 1 noname -0.0046 34 C25 22.3557 -18.9624 -8.6256 C.3 1 noname -0.0524 35 C26 21.8598 -22.5072 -10.8726 C.3 1 noname -0.0524 36 H1 23.3724 -24.6029 0.3872 H 1 noname 0.0654 37 H2 17.5317 -24.9589 0.4062 H 1 noname 0.0468 38 H3 22.6844 -26.8178 0.9742 H 1 noname 0.0639 39 H4 18.1906 -26.8088 2.7121 H 1 noname 0.0245 40 H5 16.6237 -26.1168 2.2691 H 1 noname 0.0245 41 H6 17.9286 -25.0558 2.8291 H 1 noname 0.0245 42 H7 19.7084 -26.1066 -1.8385 H 1 noname 0.0642 43 H8 15.4286 -27.6925 -1.2575 H 1 noname 0.1258 44 H9 14.7036 -27.5225 -2.7654 H 1 noname 0.1258 45 H10 17.7004 -25.6965 -5.5133 H 1 noname 0.0846 46 H11 21.3832 -25.2545 -2.6283 H 1 noname 0.0629 47 H12 19.3823 -24.8255 -6.3241 H 1 noname 0.0629 48 H13 23.3051 -24.2825 -3.5642 H 1 noname 0.0630 49 H14 21.3122 -23.8536 -7.2460 H 1 noname 0.0630 50 H15 22.9170 -23.0334 -7.8748 H 1 noname 0.1313 51 H16 25.6927 -23.0063 -7.8868 H 1 noname 0.0446 52 H17 25.1088 -21.4254 -7.3288 H 1 noname 0.0446 53 H18 25.3857 -21.4013 -9.7827 H 1 noname 0.0443 54 H19 24.4027 -22.8633 -9.9117 H 1 noname 0.0443 55 H20 24.0257 -19.1803 -9.9826 H 1 noname 0.0427 56 H21 24.3477 -19.6393 -8.3056 H 1 noname 0.0427 57 H22 22.0028 -20.3843 -10.9436 H 1 noname 0.0427 58 H23 23.4467 -21.2032 -11.5525 H 1 noname 0.0427 59 H24 22.6257 -17.9563 -8.3016 H 1 noname 0.0243 60 H25 21.6227 -18.8913 -9.4286 H 1 noname 0.0243 61 H26 21.9207 -19.5043 -7.7856 H 1 noname 0.0243 62 H27 21.3457 -22.5311 -11.8345 H 1 noname 0.0243 63 H28 22.5037 -23.3821 -10.7946 H 1 noname 0.0243 64 H29 21.1207 -22.5292 -10.0716 H 1 noname 0.0243 @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 6 9 2 9 6 36 1 10 7 10 1 11 7 9 1 12 8 11 1 13 8 12 1 14 8 37 1 15 9 38 1 16 11 13 1 17 12 39 1 18 12 40 1 19 12 41 1 20 13 14 2 21 13 15 1 22 14 16 1 23 14 17 1 24 15 18 2 25 15 42 1 26 16 19 2 27 17 43 1 28 17 44 1 29 18 20 1 30 18 19 1 31 19 45 1 32 20 21 2 33 20 22 1 34 21 23 1 35 21 46 1 36 22 24 2 37 22 47 1 38 23 25 2 39 23 48 1 40 24 25 1 41 24 49 1 42 25 26 1 43 26 27 2 44 26 28 1 45 28 29 1 46 28 50 1 47 29 30 1 48 29 51 1 49 29 52 1 50 30 31 1 51 30 53 1 52 30 54 1 53 31 32 1 54 31 33 1 55 32 34 1 56 32 55 1 57 32 56 1 58 33 35 1 59 33 57 1 60 33 58 1 61 34 59 1 62 34 60 1 63 34 61 1 64 35 62 1 65 35 63 1 66 35 64 1 @SUBSTRUCTURE 1 noname 1