REMARK Name = BDB025315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.746 -1.788 0.421 0.00 0.00 +0.064 A ATOM 2 C LIG 1 -1.923 -0.680 0.142 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.094 0.664 -0.324 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -0.824 1.257 -0.388 0.00 0.00 +0.052 A ATOM 5 N LIG 1 0.085 0.309 0.044 0.00 0.00 -0.313 N ATOM 6 C LIG 1 -0.646 2.582 -0.823 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -1.774 3.316 -1.196 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -3.043 2.753 -1.139 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.215 1.435 -0.707 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -0.560 -0.867 0.340 0.00 0.00 +0.144 A ATOM 11 N LIG 1 0.055 -1.996 0.751 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -0.788 -3.017 1.007 0.00 0.00 +0.114 A ATOM 13 C LIG 1 -2.164 -2.976 0.866 0.00 0.00 +0.039 A ENDROOT BRANCH 5 14 ATOM 14 C LIG 1 1.533 0.490 0.144 0.00 0.00 +0.176 C ATOM 15 C LIG 1 2.054 0.128 1.532 0.00 0.00 +0.242 C ATOM 16 O LIG 1 1.504 0.481 2.574 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 3.261 -0.531 1.583 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.595 -0.751 2.512 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 4.198 -0.613 0.586 0.00 0.00 +0.219 C ATOM 20 O LIG 1 5.347 -0.974 0.822 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 3.769 -0.133 -0.779 0.00 0.00 +0.099 C ATOM 22 C LIG 1 2.268 -0.274 -0.962 0.00 0.00 +0.044 C ENDBRANCH 5 14 BRANCH 1 24 ATOM 23 N LIG 1 -5.307 -1.611 0.099 0.00 0.00 -0.191 NA ATOM 24 C LIG 1 -4.157 -1.679 0.243 0.00 0.00 +0.100 C ENDBRANCH 1 24 TORSDOF 2