REMARK Name = BDB016350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.053 -1.040 0.624 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -1.174 -0.681 -0.033 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -1.101 0.324 -1.006 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.284 0.919 -0.875 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.243 1.071 -1.499 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.197 0.166 -2.236 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -4.100 -0.603 -1.331 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -3.619 -1.292 -0.271 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.361 -1.829 0.163 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.309 -0.675 -1.572 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -2.859 1.966 -0.426 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -2.334 -1.422 0.294 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -2.274 -2.404 1.306 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.089 -2.711 1.963 0.00 0.00 +0.003 A ATOM 15 C LIG 1 0.070 -2.039 1.615 0.00 0.00 +0.010 A ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 3.921 -0.330 -2.495 0.00 0.00 +0.044 C ATOM 17 C LIG 1 3.234 -0.045 -1.193 0.00 0.00 -0.050 A ATOM 18 C LIG 1 2.018 -0.668 -0.884 0.00 0.00 +0.012 A ATOM 19 C LIG 1 1.339 -0.382 0.310 0.00 0.00 -0.016 A ATOM 20 C LIG 1 1.902 0.548 1.198 0.00 0.00 +0.012 A ATOM 21 C LIG 1 3.117 1.182 0.907 0.00 0.00 -0.050 A ATOM 22 C LIG 1 3.683 2.205 1.847 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.767 0.892 -0.299 0.00 0.00 +0.006 A ENDBRANCH 1 19 TORSDOF 1