@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446443 63 67 1 SMALL USER_CHARGES @ATOM 1 Cl1 10.7985 -14.1785 -2.0296 Cl 1 noname -0.0784 2 C1 11.7325 -12.8954 -1.4325 C.2 1 noname 0.0019 3 C2 11.2174 -11.6213 -1.0585 C.2 1 noname 0.0183 4 C3 13.1265 -13.1073 -1.4655 C.2 1 noname 0.0146 5 N1 9.9203 -11.2102 -0.9034 N.3 1 noname 0.0119 6 C4 12.1384 -10.5782 -0.8324 C.2 1 noname -0.0329 7 C5 14.0405 -12.0752 -1.1674 C.2 1 noname -0.0251 8 C6 8.7882 -11.8962 -0.5954 C.2 1 noname 0.0360 9 C7 13.5234 -10.7982 -0.8734 C.2 1 noname -0.0141 10 C8 15.4375 -12.3072 -1.1793 C.2 1 noname 0.0109 11 N2 8.7812 -13.1872 -0.1653 N.2 1 noname -0.2591 12 C9 7.5671 -11.1881 -0.6353 C.2 1 noname 0.0074 13 O1 16.2475 -11.3802 -0.9563 O.2 1 noname -0.2953 14 N3 15.9875 -13.5742 -1.4133 N.3 1 noname -0.0681 15 C10 7.6621 -13.8652 0.1936 C.2 1 noname 0.0119 16 C11 6.3720 -11.8511 -0.2793 C.2 1 noname 0.0351 17 C12 16.9305 -14.0392 -2.4263 C.3 1 noname 0.0073 18 C13 15.9865 -14.8002 -0.6173 C.3 1 noname 0.0073 19 C14 6.4430 -13.1792 0.1287 C.2 1 noname -0.0219 20 N4 5.0730 -11.4401 -0.2292 N.3 1 noname -0.1545 21 C15 16.9474 -15.3712 -1.6673 C.3 1 noname -0.0265 22 C16 5.1639 -13.5931 0.4257 C.2 1 noname -0.0003 23 C17 4.3189 -12.5100 0.1787 C.2 1 noname -0.0025 24 C18 4.6329 -10.1610 -0.4922 C.2 1 noname 0.1303 25 C19 2.9188 -12.6460 0.3378 C.2 1 noname 0.0194 26 O2 3.4418 -9.8319 -0.2981 O.2 1 noname -0.2247 27 O3 5.4949 -9.1899 -0.9162 O.3 1 noname -0.1780 28 C20 2.2507 -13.3900 1.3049 C.2 1 noname 0.0334 29 C21 1.8967 -12.1409 -0.4551 C.2 1 noname -0.0565 30 C22 5.1078 -7.8478 -1.2592 C.3 1 noname 0.0713 31 N5 0.9266 -13.2959 1.1029 N.2 1 noname -0.2926 32 N6 0.7266 -12.5529 0.0608 N.3 1 noname -0.0169 33 C23 6.4068 -7.1197 -1.6461 C.3 1 noname -0.0356 34 C24 4.1597 -7.8248 -2.4742 C.3 1 noname -0.0356 35 C25 4.4828 -7.0957 -0.0671 C.3 1 noname -0.0356 36 C26 -0.5583 -12.2378 -0.4460 C.3 1 noname -0.0366 37 H1 13.4895 -14.0233 -1.7404 H 1 noname 0.0646 38 H2 9.7963 -10.2501 -0.9504 H 1 noname 0.1357 39 H3 11.8003 -9.6431 -0.5983 H 1 noname 0.0640 40 H4 14.1514 -10.0171 -0.6723 H 1 noname 0.0631 41 H5 7.5611 -10.2110 -0.9252 H 1 noname 0.0676 42 H6 7.7121 -14.8362 0.5037 H 1 noname 0.0847 43 H7 16.5434 -14.0821 -3.4453 H 1 noname 0.0436 44 H8 17.8835 -13.5091 -2.4393 H 1 noname 0.0436 45 H9 16.4114 -14.6942 0.3807 H 1 noname 0.0436 46 H10 15.0314 -15.3202 -0.5312 H 1 noname 0.0436 47 H11 16.5514 -16.2172 -2.2282 H 1 noname 0.0293 48 H12 17.9204 -15.6651 -1.2732 H 1 noname 0.0293 49 H13 4.8899 -14.5261 0.7388 H 1 noname 0.0650 50 H14 2.6907 -13.9219 2.0569 H 1 noname 0.0863 51 H15 2.0117 -11.5669 -1.2901 H 1 noname 0.0816 52 H16 6.1908 -6.0896 -1.9341 H 1 noname 0.0259 53 H17 7.0928 -7.1137 -0.7981 H 1 noname 0.0259 54 H18 6.8828 -7.6307 -2.4831 H 1 noname 0.0259 55 H19 3.9477 -6.7927 -2.7581 H 1 noname 0.0259 56 H20 4.6277 -8.3377 -3.3152 H 1 noname 0.0259 57 H21 3.2207 -8.3217 -2.2341 H 1 noname 0.0259 58 H22 4.3667 -6.0396 -0.3140 H 1 noname 0.0259 59 H23 3.5017 -7.5047 0.1729 H 1 noname 0.0259 60 H24 5.1317 -7.1897 0.8049 H 1 noname 0.0259 61 H25 -1.1324 -11.7238 0.3260 H 1 noname 0.0453 62 H26 -1.0724 -13.1588 -0.7220 H 1 noname 0.0453 63 H27 -0.4884 -11.5917 -1.3240 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 14 17 1 23 14 18 1 24 15 19 2 25 15 42 1 26 16 20 1 27 16 19 1 28 17 21 1 29 17 43 1 30 17 44 1 31 18 21 1 32 18 45 1 33 18 46 1 34 19 22 1 35 20 23 1 36 20 24 1 37 21 47 1 38 21 48 1 39 22 23 2 40 22 49 1 41 23 25 1 42 24 26 2 43 24 27 1 44 25 28 1 45 25 29 2 46 27 30 1 47 28 31 2 48 28 50 1 49 29 32 1 50 29 51 1 51 30 33 1 52 30 34 1 53 30 35 1 54 31 32 1 55 32 36 1 56 33 52 1 57 33 53 1 58 33 54 1 59 34 55 1 60 34 56 1 61 34 57 1 62 35 58 1 63 35 59 1 64 35 60 1 65 36 61 1 66 36 62 1 67 36 63 1 @SUBSTRUCTURE 1 noname 1