@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446440 62 66 1 SMALL USER_CHARGES @ATOM 1 Cl1 15.5608 -16.4450 0.6122 Cl 1 noname -0.0792 2 C1 15.9688 -15.2130 -0.4787 C.2 1 noname -0.0040 3 C2 15.2387 -14.0049 -0.6547 C.2 1 noname 0.0139 4 C3 17.2007 -15.3909 -1.1436 C.2 1 noname 0.0015 5 N1 14.0027 -13.6389 -0.1926 N.3 1 noname 0.0107 6 C4 15.8377 -12.9749 -1.4076 C.2 1 noname -0.0387 7 C5 17.7596 -14.3789 -1.9536 C.2 1 noname -0.0415 8 C6 12.9196 -14.3598 0.2003 C.2 1 noname 0.0360 9 C7 17.0686 -13.1559 -2.0525 C.2 1 noname -0.0274 10 C8 18.9786 -14.5568 -2.6545 C.2 1 noname 0.0316 11 N2 12.8066 -15.7107 0.0864 N.2 1 noname -0.2592 12 C9 11.8086 -13.6268 0.6684 C.2 1 noname 0.0073 13 N3 19.5665 -13.6328 -3.4415 N.2 1 noname -0.3095 14 C10 19.7885 -15.6878 -2.6955 C.2 1 noname 0.0065 15 C11 11.6986 -16.4167 0.4324 C.2 1 noname 0.0119 16 C12 10.6266 -14.3128 1.0214 C.2 1 noname 0.0351 17 N4 20.6565 -14.1178 -3.9524 N.3 1 noname -0.0329 18 C13 20.8455 -15.3767 -3.5294 C.2 1 noname -0.0712 19 C14 10.5965 -15.6976 0.9105 C.2 1 noname -0.0219 20 N5 9.4226 -13.8747 1.4844 N.3 1 noname -0.1545 21 C15 21.5034 -13.4007 -4.8334 C.3 1 noname -0.0393 22 C16 9.3505 -16.1186 1.3255 C.2 1 noname -0.0003 23 C17 8.6215 -14.9737 1.6485 C.2 1 noname -0.0025 24 C18 9.1045 -12.5647 1.7655 C.2 1 noname 0.1303 25 C19 7.2585 -15.0696 2.0075 C.2 1 noname 0.0194 26 O1 9.9125 -11.6397 1.5195 O.2 1 noname -0.2247 27 O2 7.9235 -12.2327 2.3615 O.3 1 noname -0.1780 28 C20 6.6585 -16.0566 2.7826 C.2 1 noname 0.0334 29 C21 6.1975 -14.2706 1.6056 C.2 1 noname -0.0565 30 C22 7.4585 -10.8887 2.5555 C.3 1 noname 0.0713 31 N6 5.3375 -15.8235 2.8516 N.2 1 noname -0.2926 32 N7 5.0745 -14.7636 2.1536 N.3 1 noname -0.0169 33 C23 8.3444 -10.1156 3.5516 C.3 1 noname -0.0356 34 C24 7.3414 -10.1236 1.2226 C.3 1 noname -0.0356 35 C25 6.0505 -11.0116 3.1626 C.3 1 noname -0.0356 36 C26 3.7724 -14.2275 1.9997 C.3 1 noname -0.0366 37 H1 17.7126 -16.2668 -1.0186 H 1 noname 0.0645 38 H2 13.8367 -12.6829 -0.2216 H 1 noname 0.1357 39 H3 15.3556 -12.0819 -1.5236 H 1 noname 0.0640 40 H4 17.4475 -12.3898 -2.6115 H 1 noname 0.0630 41 H5 11.8666 -12.6128 0.7384 H 1 noname 0.0676 42 H6 19.6355 -16.5757 -2.2184 H 1 noname 0.0660 43 H7 11.6725 -17.4326 0.3355 H 1 noname 0.0847 44 H8 21.6184 -15.9917 -3.7814 H 1 noname 0.0809 45 H9 22.3473 -14.0137 -5.1523 H 1 noname 0.0453 46 H10 20.9343 -13.0987 -5.7133 H 1 noname 0.0453 47 H11 21.8804 -12.5107 -4.3303 H 1 noname 0.0453 48 H12 9.0165 -17.0835 1.3395 H 1 noname 0.0650 49 H13 7.1394 -16.8355 3.2316 H 1 noname 0.0863 50 H14 6.2534 -13.4566 0.9917 H 1 noname 0.0816 51 H15 7.8894 -9.1496 3.7746 H 1 noname 0.0259 52 H16 8.4424 -10.6866 4.4746 H 1 noname 0.0259 53 H17 9.3344 -9.9456 3.1306 H 1 noname 0.0259 54 H18 6.8504 -9.1646 1.3916 H 1 noname 0.0259 55 H19 8.3294 -9.9396 0.8016 H 1 noname 0.0259 56 H20 6.7534 -10.7066 0.5136 H 1 noname 0.0259 57 H21 5.6364 -10.0206 3.3486 H 1 noname 0.0259 58 H22 5.3954 -11.5476 2.4746 H 1 noname 0.0259 59 H23 6.1014 -11.5605 4.1036 H 1 noname 0.0259 60 H24 3.3794 -13.9525 2.9797 H 1 noname 0.0453 61 H25 3.1234 -14.9815 1.5537 H 1 noname 0.0453 62 H26 3.7834 -13.3435 1.3597 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 2 18 10 14 1 19 11 15 1 20 12 16 2 21 12 41 1 22 13 17 1 23 14 18 2 24 14 42 1 25 15 19 2 26 15 43 1 27 16 20 1 28 16 19 1 29 17 21 1 30 17 18 1 31 18 44 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