REMARK Name = BDB003603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.112 -0.673 -0.582 0.00 0.00 +0.066 A ATOM 2 C LIG 1 1.162 -0.707 0.438 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -0.195 -0.465 0.166 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.618 -0.191 -1.156 0.00 0.00 +0.072 A ATOM 5 N LIG 1 -1.887 0.054 -1.501 0.00 0.00 -0.245 NA ATOM 6 C LIG 1 -2.800 0.027 -0.500 0.00 0.00 +0.097 A ATOM 7 C LIG 1 -4.206 0.245 -0.559 0.00 0.00 +0.026 A ATOM 8 C LIG 1 -4.699 0.106 0.740 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -6.056 0.256 1.053 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -6.932 0.557 0.005 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -6.469 0.702 -1.302 0.00 0.00 +0.001 A ATOM 12 N LIG 1 -3.625 -0.187 1.551 0.00 0.00 -0.353 N ATOM 13 H LIG 1 -3.688 -0.343 2.546 0.00 0.00 +0.166 HD ATOM 14 C LIG 1 -5.110 0.549 -1.597 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -2.463 -0.238 0.821 0.00 0.00 +0.067 A ATOM 16 C LIG 1 0.343 -0.180 -2.156 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -1.146 -0.493 1.194 0.00 0.00 +0.038 A ATOM 18 C LIG 1 1.694 -0.422 -1.885 0.00 0.00 +0.030 A ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 4.216 0.109 -0.156 0.00 0.00 +0.184 C ATOM 20 N LIG 1 3.459 -0.930 -0.297 0.00 0.00 -0.240 NA BRANCH 19 22 ATOM 21 C LIG 1 6.229 1.313 0.561 0.00 0.00 +0.129 C ATOM 22 N LIG 1 5.565 0.098 0.117 0.00 0.00 -0.327 N ATOM 23 C LIG 1 6.205 -1.156 0.490 0.00 0.00 +0.129 C ENDBRANCH 19 22 ENDBRANCH 1 20 TORSDOF 2