REMARK Name = BDB000734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.777 0.704 -0.788 0.00 0.00 +0.002 A ATOM 2 C LIG 1 2.574 1.402 -0.953 0.00 0.00 +0.030 A ATOM 3 C LIG 1 1.384 0.804 -0.514 0.00 0.00 +0.090 A ATOM 4 C LIG 1 1.433 -0.458 0.067 0.00 0.00 +0.067 A ATOM 5 N LIG 1 0.126 -0.734 0.370 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -0.214 -1.575 0.808 0.00 0.00 +0.167 HD ATOM 7 C LIG 1 -0.649 0.329 -0.021 0.00 0.00 +0.159 A ATOM 8 C LIG 1 2.617 -1.177 0.243 0.00 0.00 +0.028 A ATOM 9 N LIG 1 0.096 1.274 -0.561 0.00 0.00 -0.226 NA ATOM 10 C LIG 1 3.795 -0.564 -0.200 0.00 0.00 +0.002 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.208 0.388 0.160 0.00 0.00 +0.127 A ATOM 12 N LIG 1 -2.943 1.437 -0.230 0.00 0.00 -0.171 NA ATOM 13 N LIG 1 -4.199 1.101 0.095 0.00 0.00 -0.284 N ATOM 14 H LIG 1 -4.939 1.763 -0.114 0.00 0.00 +0.188 HD ATOM 15 C LIG 1 -4.298 -0.127 0.680 0.00 0.00 +0.105 A ATOM 16 C LIG 1 -3.017 -0.620 0.738 0.00 0.00 +0.052 A ENDBRANCH 7 11 TORSDOF 1