REMARK Name = LIG001733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.205 2.342 0.289 0.00 0.00 -0.285 N ATOM 2 H LIG 1 0.760 2.406 -0.555 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.984 3.055 0.306 0.00 0.00 +0.218 C ATOM 4 O LIG 1 -1.763 3.141 1.248 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 2.618 -0.960 4.334 0.00 0.00 +0.047 C ATOM 6 C LIG 1 1.980 -0.099 3.273 0.00 0.00 -0.011 A ATOM 7 C LIG 1 2.617 0.119 2.033 0.00 0.00 +0.036 A ATOM 8 C LIG 1 1.984 0.936 1.077 0.00 0.00 +0.046 A ATOM 9 C LIG 1 0.743 1.539 1.320 0.00 0.00 +0.037 A ATOM 10 C LIG 1 0.125 1.323 2.546 0.00 0.00 +0.043 A ATOM 11 C LIG 1 0.738 0.519 3.513 0.00 0.00 +0.047 A ATOM 12 CL LIG 1 -0.090 0.325 5.023 0.00 0.00 -0.083 Cl BRANCH 7 13 ATOM 13 N LIG 1 3.883 -0.441 1.785 0.00 0.00 -0.327 N ATOM 14 C LIG 1 4.050 -1.200 0.527 0.00 0.00 +0.120 C ATOM 15 C LIG 1 5.060 -0.539 -0.441 0.00 0.00 +0.103 C ATOM 16 N LIG 1 6.384 -0.217 0.130 0.00 0.00 -0.296 NA ATOM 17 C LIG 1 6.329 -0.069 1.602 0.00 0.00 +0.103 C ATOM 18 C LIG 1 4.983 0.497 2.104 0.00 0.00 +0.120 C BRANCH 16 19 ATOM 19 C LIG 1 7.503 -1.075 -0.301 0.00 0.00 +0.061 C ATOM 20 C LIG 1 7.917 -0.739 -1.748 0.00 0.00 +0.047 C ATOM 21 C LIG 1 8.697 -1.879 -2.395 0.00 0.00 +0.161 C ATOM 22 O LIG 1 9.424 -2.608 -1.413 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 8.573 -3.338 -0.529 0.00 0.00 +0.161 C ATOM 24 C LIG 1 7.293 -2.587 -0.157 0.00 0.00 +0.047 C ENDBRANCH 16 19 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 -1.204 3.808 -0.998 0.00 0.00 +0.101 C BRANCH 25 26 ATOM 26 C LIG 1 -2.647 4.269 -1.192 0.00 0.00 +0.044 C BRANCH 26 27 ATOM 27 C LIG 1 -3.560 3.149 -1.638 0.00 0.00 -0.046 A ATOM 28 C LIG 1 -4.371 2.485 -0.706 0.00 0.00 +0.017 A ATOM 29 C LIG 1 -5.181 1.465 -1.169 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -6.130 0.626 -0.427 0.00 0.00 +0.248 C ATOM 31 N LIG 1 -6.633 -0.304 -1.327 0.00 0.00 -0.282 N ATOM 32 C LIG 1 -6.202 -0.025 -2.690 0.00 0.00 +0.144 C ATOM 33 O LIG 1 -6.414 0.766 0.746 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 -5.217 1.078 -2.507 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -4.424 1.720 -3.440 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -3.593 2.757 -2.998 0.00 0.00 +0.004 A BRANCH 31 37 ATOM 37 C LIG 1 -7.769 -1.178 -1.054 0.00 0.00 +0.163 C ATOM 38 C LIG 1 -9.093 -0.399 -1.089 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -9.292 0.571 -1.820 0.00 0.00 -0.273 OA ATOM 40 N LIG 1 -10.121 -0.924 -0.339 0.00 0.00 -0.255 N ATOM 41 H LIG 1 -11.003 -0.432 -0.396 0.00 0.00 +0.158 HD ATOM 42 C LIG 1 -10.139 -2.110 0.351 0.00 0.00 +0.219 C ATOM 43 O LIG 1 -11.182 -2.547 0.830 0.00 0.00 -0.275 OA ATOM 44 C LIG 1 -8.843 -2.885 0.402 0.00 0.00 +0.098 C ATOM 45 C LIG 1 -7.642 -1.966 0.251 0.00 0.00 +0.041 C ENDBRANCH 31 37 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7