REMARK Name = LIG000015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.373 0.102 0.034 0.00 0.00 +0.143 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.785 0.613 -0.321 0.00 0.00 +0.231 C ATOM 3 N LIG 1 -2.698 0.463 0.709 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -2.325 0.380 1.652 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.101 1.068 -1.415 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -4.029 1.032 0.589 0.00 0.00 +0.168 C ATOM 7 C LIG 1 -4.807 0.846 1.877 0.00 0.00 +0.240 C ATOM 8 O LIG 1 -4.342 0.902 3.005 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 -6.097 0.583 1.558 0.00 0.00 -0.255 N ATOM 10 H LIG 1 -6.812 0.401 2.245 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 -6.239 0.222 0.259 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -7.266 -0.211 -0.235 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -4.923 0.365 -0.452 0.00 0.00 +0.128 C ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 N LIG 1 -0.440 -1.374 0.238 0.00 0.00 -0.320 NA ATOM 15 H LIG 1 -0.717 -1.799 -0.651 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 -1.208 -1.579 0.880 0.00 0.00 +0.119 HD ENDBRANCH 1 14 BRANCH 1 17 ATOM 17 C LIG 1 0.635 0.485 -1.067 0.00 0.00 +0.081 C BRANCH 17 18 ATOM 18 C LIG 1 2.063 0.234 -0.683 0.00 0.00 +0.019 A ATOM 19 N LIG 1 2.450 -0.913 -0.030 0.00 0.00 -0.358 N ATOM 20 H LIG 1 1.808 -1.643 0.260 0.00 0.00 +0.166 HD ATOM 21 C LIG 1 3.804 -0.904 0.204 0.00 0.00 +0.047 A ATOM 22 C LIG 1 4.303 0.284 -0.328 0.00 0.00 -0.000 A ATOM 23 C LIG 1 5.683 0.546 -0.225 0.00 0.00 +0.010 A ATOM 24 C LIG 1 6.512 -0.387 0.408 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.985 -1.566 0.932 0.00 0.00 +0.002 A ATOM 26 C LIG 1 4.619 -1.848 0.841 0.00 0.00 +0.026 A ATOM 27 C LIG 1 3.200 0.990 -0.885 0.00 0.00 +0.031 A ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5