REMARK Name = BDB028918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.594 0.994 0.871 0.00 0.00 +0.013 A ATOM 2 C LIG 1 -2.660 -0.428 0.959 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -1.652 -0.827 1.818 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.369 -2.162 2.172 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -2.157 -3.091 1.601 0.00 0.00 +0.091 A ATOM 6 N LIG 1 -3.191 -2.776 0.714 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -3.967 -3.869 0.153 0.00 0.00 +0.152 C ATOM 8 N LIG 1 -0.968 0.276 2.248 0.00 0.00 -0.337 N ATOM 9 C LIG 1 -3.514 -1.446 0.341 0.00 0.00 +0.261 A ATOM 10 O LIG 1 -4.432 -1.167 -0.426 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -1.546 1.394 1.690 0.00 0.00 +0.096 A ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 -7.070 2.559 -0.638 0.00 0.00 +0.047 C ATOM 13 C LIG 1 -5.579 2.744 -0.648 0.00 0.00 -0.008 A ATOM 14 C LIG 1 -4.941 3.755 -1.393 0.00 0.00 +0.132 A ATOM 15 C LIG 1 -3.539 3.882 -1.373 0.00 0.00 +0.079 A ATOM 16 C LIG 1 -2.780 2.966 -0.623 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -3.394 1.944 0.111 0.00 0.00 -0.015 A ATOM 18 C LIG 1 -4.789 1.851 0.098 0.00 0.00 +0.015 A BRANCH 15 19 ATOM 19 C LIG 1 -2.767 4.932 -2.117 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -1.540 4.936 -2.139 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -3.467 5.896 -2.781 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -2.960 6.532 -3.381 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -4.474 5.817 -2.872 0.00 0.00 +0.145 HD ENDBRANCH 15 19 BRANCH 14 24 ATOM 24 O LIG 1 -5.687 4.620 -2.159 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 -6.614 4.327 -2.162 0.00 0.00 +0.292 HD ENDBRANCH 14 24 ENDBRANCH 1 17 BRANCH 8 26 ATOM 26 C LIG 1 0.188 0.308 3.130 0.00 0.00 +0.217 C BRANCH 26 27 ATOM 27 C LIG 1 1.433 -0.234 2.450 0.00 0.00 +0.237 C ATOM 28 N LIG 1 1.873 0.555 1.399 0.00 0.00 -0.283 N ATOM 29 H LIG 1 1.314 1.372 1.159 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 1.963 -1.268 2.851 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.989 0.340 0.550 0.00 0.00 +0.057 A ATOM 32 C LIG 1 3.214 1.242 -0.492 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 2.183 2.600 -0.763 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 4.308 1.036 -1.311 0.00 0.00 +0.134 A ATOM 35 N LIG 1 5.174 0.006 -1.168 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 4.957 -0.885 -0.177 0.00 0.00 +0.123 A ATOM 37 C LIG 1 3.881 -0.724 0.704 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 5.847 -1.947 -0.011 0.00 0.00 -0.311 N ATOM 39 C LIG 1 5.268 -3.299 0.150 0.00 0.00 +0.134 C ATOM 40 C LIG 1 5.787 -4.250 -0.944 0.00 0.00 +0.178 C ATOM 41 O LIG 1 7.217 -4.380 -0.957 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 7.896 -3.165 -0.594 0.00 0.00 +0.178 C ATOM 43 C LIG 1 7.062 -1.898 -0.846 0.00 0.00 +0.134 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7