REMARK Name = LIG000184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.337 2.127 -0.294 0.00 0.00 -0.459 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.156 1.210 0.295 0.00 0.00 +0.325 C ATOM 3 O LIG 1 2.052 0.801 1.445 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 C LIG 1 3.183 0.720 -0.724 0.00 0.00 +0.229 C BRANCH 4 11 ATOM 5 O LIG 1 7.428 -1.740 1.737 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 6.452 -1.237 1.185 0.00 0.00 +0.222 C ATOM 7 N LIG 1 6.280 0.120 1.136 0.00 0.00 -0.240 N ATOM 8 H LIG 1 7.017 0.681 1.538 0.00 0.00 +0.159 HD ATOM 9 C LIG 1 5.338 0.800 0.412 0.00 0.00 +0.309 C ATOM 10 O LIG 1 5.427 2.013 0.246 0.00 0.00 -0.252 OA ATOM 11 N LIG 1 4.319 0.028 -0.111 0.00 0.00 -0.274 N ATOM 12 C LIG 1 4.119 -1.314 0.412 0.00 0.00 +0.119 C ATOM 13 C LIG 1 5.434 -2.061 0.448 0.00 0.00 +0.115 C ENDBRANCH 4 11 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 0.277 2.629 0.528 0.00 0.00 +0.267 C BRANCH 14 15 ATOM 15 C LIG 1 -0.976 1.836 0.264 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.357 0.799 1.123 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -2.508 0.049 0.863 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.305 0.308 -0.263 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -2.908 1.343 -1.125 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -1.757 2.095 -0.869 0.00 0.00 +0.007 A BRANCH 18 21 ATOM 21 C LIG 1 -4.517 -0.484 -0.534 0.00 0.00 -0.018 A ATOM 22 C LIG 1 -5.517 -0.634 0.442 0.00 0.00 +0.008 A ATOM 23 C LIG 1 -6.668 -1.384 0.186 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -6.838 -1.999 -1.052 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.860 -1.864 -2.033 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.710 -1.112 -1.776 0.00 0.00 +0.008 A ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 6