REMARK Name = LIG000182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.787 0.091 0.077 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.202 0.263 1.389 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.305 0.569 1.799 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.042 -0.016 2.242 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.937 0.081 3.613 0.00 0.00 +0.013 A ATOM 6 C LIG 1 0.710 -0.256 4.176 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.365 -0.671 3.360 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -0.263 -0.760 1.956 0.00 0.00 -0.038 A ATOM 9 C LIG 1 0.986 -0.429 1.427 0.00 0.00 -0.015 A ATOM 10 C LIG 1 1.444 -0.466 0.005 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 7.271 -0.342 -3.097 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 6.245 -0.194 -2.439 0.00 0.00 +0.219 C ATOM 13 N LIG 1 5.682 -1.246 -1.761 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.180 -2.124 -1.813 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.472 -1.280 -1.106 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.026 -2.346 -0.682 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 3.689 0.042 -1.069 0.00 0.00 +0.163 C ATOM 18 C LIG 1 4.643 1.234 -1.152 0.00 0.00 +0.041 C ATOM 19 C LIG 1 5.490 1.114 -2.409 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -1.393 -1.200 1.049 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -2.470 -0.207 0.579 0.00 0.00 +0.029 C ATOM 22 C LIG 1 -2.816 -1.363 1.509 0.00 0.00 +0.023 C BRANCH 21 23 ATOM 23 C LIG 1 -2.552 1.206 1.169 0.00 0.00 -0.038 A ATOM 24 C LIG 1 -3.663 1.619 1.930 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.752 2.910 2.459 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -2.727 3.821 2.228 0.00 0.00 +0.018 A ATOM 27 BR LIG 1 -2.839 5.566 2.943 0.00 0.00 -0.050 Br ATOM 28 C LIG 1 -1.623 3.454 1.466 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -1.545 2.161 0.939 0.00 0.00 +0.005 A ENDBRANCH 21 23 BRANCH 21 30 ATOM 30 C LIG 1 -2.930 -0.267 -0.873 0.00 0.00 +0.213 C BRANCH 30 31 ATOM 31 O LIG 1 -2.850 -1.598 -1.397 0.00 0.00 -0.234 OA BRANCH 31 32 ATOM 32 O LIG 1 -3.249 -1.494 -2.796 0.00 0.00 -0.230 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.311 -2.443 -2.962 0.00 0.00 +0.256 C BRANCH 33 34 ATOM 34 C LIG 1 -4.879 -2.409 -4.388 0.00 0.00 +0.216 C ATOM 35 CL LIG 1 -5.552 -0.791 -4.763 0.00 0.00 -0.081 Cl ATOM 36 CL LIG 1 -6.201 -3.615 -4.528 0.00 0.00 -0.081 Cl ATOM 37 CL LIG 1 -3.618 -2.812 -5.593 0.00 0.00 -0.081 Cl ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 21 30 ENDBRANCH 8 20 TORSDOF 8