REMARK Name = BDB016290 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.090 -0.927 0.878 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -1.300 -0.619 0.166 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -1.210 0.340 -0.851 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.407 0.954 -0.723 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.346 1.044 -1.416 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.262 0.089 -2.139 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -4.183 -0.649 -1.227 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -3.729 -1.279 -0.119 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.476 -1.805 0.316 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.383 -0.751 -1.503 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -3.010 1.980 -0.409 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -2.461 -1.361 0.492 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -2.420 -2.292 1.551 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.253 -2.549 2.260 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -0.093 -1.878 1.916 0.00 0.00 +0.010 A ENDROOT BRANCH 1 21 ATOM 16 C LIG 1 4.958 1.698 -0.302 0.00 0.00 +0.044 C ATOM 17 C LIG 1 3.654 1.002 -0.020 0.00 0.00 -0.048 A ATOM 18 C LIG 1 3.134 0.033 -0.898 0.00 0.00 -0.047 A ATOM 19 C LIG 1 3.855 -0.352 -2.161 0.00 0.00 +0.044 C ATOM 20 C LIG 1 1.912 -0.590 -0.590 0.00 0.00 +0.012 A ATOM 21 C LIG 1 1.196 -0.267 0.573 0.00 0.00 -0.016 A ATOM 22 C LIG 1 1.728 0.698 1.437 0.00 0.00 +0.009 A ATOM 23 C LIG 1 2.941 1.325 1.144 0.00 0.00 +0.004 A ENDBRANCH 1 21 TORSDOF 1