REMARK Name = LIG001463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.099 1.193 -0.060 0.00 0.00 -0.282 N ATOM 2 C LIG 1 1.887 0.724 0.421 0.00 0.00 +0.248 C ATOM 3 O LIG 1 1.504 0.637 1.571 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.097 0.317 -0.744 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.882 0.481 -1.881 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.367 0.178 -3.127 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.044 -0.284 -3.199 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -0.743 -0.450 -2.039 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -0.202 -0.151 -0.786 0.00 0.00 +0.021 A ATOM 10 C LIG 1 3.236 0.973 -1.495 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 6.669 1.403 4.132 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 5.894 1.428 3.180 0.00 0.00 +0.219 C ATOM 13 N LIG 1 5.651 0.301 2.437 0.00 0.00 -0.255 N ATOM 14 H LIG 1 6.120 -0.541 2.743 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 4.927 0.196 1.271 0.00 0.00 +0.240 C ATOM 16 O LIG 1 4.923 -0.858 0.635 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 4.258 1.487 0.776 0.00 0.00 +0.163 C ATOM 18 C LIG 1 3.951 2.416 1.950 0.00 0.00 +0.041 C ATOM 19 C LIG 1 5.234 2.705 2.713 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 -2.087 -0.905 -2.140 0.00 0.00 -0.026 C ATOM 21 C LIG 1 -3.273 -1.324 -1.420 0.00 0.00 +0.066 C ATOM 22 C LIG 1 -3.152 -1.134 -2.852 0.00 0.00 -0.003 C BRANCH 21 23 ATOM 23 C LIG 1 -3.345 -2.773 -0.972 0.00 0.00 -0.031 A ATOM 24 C LIG 1 -4.415 -3.604 -1.364 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.507 -4.934 -0.941 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -3.527 -5.460 -0.106 0.00 0.00 +0.018 A ATOM 27 BR LIG 1 -3.645 -7.255 0.469 0.00 0.00 -0.050 Br ATOM 28 C LIG 1 -2.462 -4.668 0.309 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -2.378 -3.338 -0.119 0.00 0.00 +0.006 A ENDBRANCH 21 23 BRANCH 21 30 ATOM 30 C LIG 1 -4.015 -0.320 -0.565 0.00 0.00 +0.221 C BRANCH 30 31 ATOM 31 O LIG 1 -3.845 1.022 -1.044 0.00 0.00 -0.233 OA BRANCH 31 32 ATOM 32 O LIG 1 -4.176 1.896 0.077 0.00 0.00 -0.230 OA BRANCH 32 33 ATOM 33 C LIG 1 -2.995 2.675 0.310 0.00 0.00 +0.256 C BRANCH 33 34 ATOM 34 C LIG 1 -3.183 3.660 1.471 0.00 0.00 +0.216 C ATOM 35 CL LIG 1 -3.549 2.788 2.993 0.00 0.00 -0.081 Cl ATOM 36 CL LIG 1 -1.668 4.596 1.705 0.00 0.00 -0.081 Cl ATOM 37 CL LIG 1 -4.507 4.816 1.127 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