REMARK Name = LIG000183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.502 -0.443 -0.404 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.326 -0.077 0.635 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.048 -0.045 1.583 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.057 -0.709 -1.519 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.774 -0.091 0.501 0.00 0.00 +0.160 C ATOM 6 C LIG 1 2.412 -0.053 1.894 0.00 0.00 +0.240 C ATOM 7 O LIG 1 1.794 -0.318 2.925 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 3.743 0.284 1.937 0.00 0.00 -0.255 N ATOM 9 H LIG 1 4.151 0.320 2.861 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 4.432 0.977 0.974 0.00 0.00 +0.219 C ATOM 11 O LIG 1 5.517 1.494 1.224 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 3.803 1.034 -0.398 0.00 0.00 +0.098 C ATOM 13 C LIG 1 2.287 1.097 -0.308 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 15 ATOM 14 C LIG 1 -2.891 -0.515 -1.210 0.00 0.00 +0.040 A ATOM 15 C LIG 1 -1.971 -0.513 -0.136 0.00 0.00 +0.092 A ATOM 16 C LIG 1 -2.458 -0.629 1.172 0.00 0.00 +0.137 A ATOM 17 F LIG 1 -1.622 -0.665 2.221 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -3.824 -0.712 1.436 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -4.731 -0.669 0.385 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -4.266 -0.553 -0.925 0.00 0.00 +0.023 A BRANCH 14 21 ATOM 21 N LIG 1 -2.504 -0.252 -2.540 0.00 0.00 -0.357 N ATOM 22 H LIG 1 -3.104 -0.671 -3.243 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -1.513 -0.477 -2.696 0.00 0.00 +0.142 HD ENDBRANCH 14 21 ENDBRANCH 1 15 TORSDOF 3