REMARK Name = LIG000059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.221 -1.148 -1.135 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.693 0.225 -1.379 0.00 0.00 -0.287 N ATOM 3 C LIG 1 -2.216 1.161 -0.513 0.00 0.00 +0.227 C ATOM 4 O LIG 1 -2.485 2.293 -0.938 0.00 0.00 -0.275 OA ATOM 5 C LIG 1 -1.877 0.427 -2.819 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -1.642 -0.943 -3.469 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -1.815 -1.922 -2.307 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 0.985 -0.074 -0.904 0.00 0.00 -0.306 N ATOM 9 H LIG 1 0.425 0.753 -1.077 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.325 -1.257 -1.175 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.897 -2.323 -1.374 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.438 0.045 -1.067 0.00 0.00 +0.112 C BRANCH 12 13 ATOM 13 C LIG 1 3.183 -0.756 -0.002 0.00 0.00 -0.027 A ATOM 14 C LIG 1 4.246 -1.594 -0.377 0.00 0.00 +0.007 A ATOM 15 C LIG 1 4.953 -2.325 0.580 0.00 0.00 +0.020 A ATOM 16 C LIG 1 4.603 -2.225 1.923 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 5.474 -3.123 3.105 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 3.554 -1.399 2.318 0.00 0.00 +0.020 A ATOM 19 C LIG 1 2.848 -0.668 1.360 0.00 0.00 +0.007 A ENDBRANCH 12 13 BRANCH 12 20 ATOM 20 C LIG 1 2.852 1.524 -1.010 0.00 0.00 +0.122 C BRANCH 20 24 ATOM 21 C LIG 1 4.392 3.970 -0.400 0.00 0.00 +0.128 C ATOM 22 N LIG 1 4.845 2.947 -1.310 0.00 0.00 -0.318 N ATOM 23 H LIG 1 5.779 3.022 -1.699 0.00 0.00 +0.148 HD ATOM 24 C LIG 1 4.231 1.758 -1.592 0.00 0.00 +0.215 C ATOM 25 O LIG 1 4.788 0.966 -2.348 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 12 20 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 -2.584 -1.209 -4.494 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.419 -2.113 -4.817 0.00 0.00 +0.210 HD ENDBRANCH 6 26 BRANCH 3 28 ATOM 28 C LIG 1 -2.486 0.858 0.972 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 -3.538 -0.203 1.047 0.00 0.00 +0.150 A ATOM 30 O LIG 1 -3.182 -1.437 1.493 0.00 0.00 -0.359 OA ATOM 31 N LIG 1 -4.277 -2.277 1.464 0.00 0.00 -0.083 NA ATOM 32 C LIG 1 -5.295 -1.534 1.015 0.00 0.00 +0.081 A ATOM 33 C LIG 1 -6.642 -2.127 0.866 0.00 0.00 +0.069 C ATOM 34 C LIG 1 -4.880 -0.213 0.741 0.00 0.00 +0.071 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -1.218 0.660 1.830 0.00 0.00 +0.002 C ATOM 36 C LIG 1 -0.303 1.892 1.724 0.00 0.00 +0.008 C ATOM 37 C LIG 1 -1.547 0.458 3.319 0.00 0.00 +0.008 C ENDBRANCH 28 35 ENDBRANCH 3 28 TORSDOF 9