REMARK Name = LIG001265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.170 0.558 -0.066 0.00 0.00 +0.231 C ATOM 2 N LIG 1 0.958 0.212 -0.773 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.795 -0.210 -1.690 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.121 1.183 0.990 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.277 0.675 -0.406 0.00 0.00 +0.168 C ATOM 6 C LIG 1 3.328 0.226 -1.405 0.00 0.00 +0.240 C ATOM 7 O LIG 1 3.195 0.160 -2.617 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 4.450 -0.101 -0.718 0.00 0.00 -0.255 N ATOM 9 H LIG 1 5.290 -0.440 -1.161 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 4.220 -0.243 0.610 0.00 0.00 +0.221 C ATOM 11 O LIG 1 5.034 -0.659 1.419 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 2.796 0.120 0.917 0.00 0.00 +0.128 C ENDBRANCH 2 5 BRANCH 1 13 ATOM 13 C LIG 1 -1.485 0.138 -0.758 0.00 0.00 +0.146 C BRANCH 13 14 ATOM 14 N LIG 1 -1.249 -1.078 -1.578 0.00 0.00 -0.320 NA ATOM 15 H LIG 1 -2.111 -1.249 -2.112 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 -1.156 -1.885 -0.961 0.00 0.00 +0.119 HD ENDBRANCH 13 14 BRANCH 13 17 ATOM 17 C LIG 1 -2.599 -0.034 0.279 0.00 0.00 +0.123 C BRANCH 17 21 ATOM 18 N LIG 1 -5.003 -0.013 0.533 0.00 0.00 -0.329 N ATOM 19 H LIG 1 -4.876 0.290 1.490 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -5.939 0.010 0.148 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -3.968 -0.093 -0.353 0.00 0.00 +0.212 C ATOM 22 O LIG 1 -4.175 -0.250 -1.550 0.00 0.00 -0.276 OA ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 5