REMARK Name = LIG001158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.540 0.330 0.597 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -1.589 -0.439 0.143 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.403 -1.444 0.115 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.676 1.508 0.913 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.954 0.037 0.180 0.00 0.00 +0.168 C ATOM 6 C LIG 1 -3.926 -1.038 -0.269 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -3.852 -2.231 -0.020 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -4.897 -0.447 -1.007 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -5.659 -0.954 -1.429 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.563 0.811 -1.387 0.00 0.00 +0.221 C ATOM 11 O LIG 1 -5.210 1.499 -2.160 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.249 1.193 -0.770 0.00 0.00 +0.128 C ENDBRANCH 2 5 BRANCH 1 13 ATOM 13 C LIG 1 0.794 -0.448 0.728 0.00 0.00 +0.138 C BRANCH 13 14 ATOM 14 N LIG 1 0.723 -1.709 -0.049 0.00 0.00 -0.320 NA ATOM 15 H LIG 1 0.742 -1.476 -1.044 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 1.562 -2.263 0.120 0.00 0.00 +0.119 HD ENDBRANCH 13 14 BRANCH 13 17 ATOM 17 C LIG 1 1.978 0.431 0.310 0.00 0.00 +0.037 C BRANCH 17 18 ATOM 18 C LIG 1 3.334 -0.185 0.657 0.00 0.00 +0.097 C BRANCH 18 22 ATOM 19 N LIG 1 5.704 0.295 0.691 0.00 0.00 -0.329 N ATOM 20 H LIG 1 5.807 -0.385 1.431 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 6.487 0.909 0.501 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 4.482 0.714 0.251 0.00 0.00 +0.211 C ATOM 23 O LIG 1 4.373 1.717 -0.441 0.00 0.00 -0.276 OA ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 6