REMARK Name = BDB053909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.247 -0.381 -0.224 0.00 0.00 +0.030 C ATOM 2 C LIG 1 1.116 0.275 0.575 0.00 0.00 +0.094 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 2.465 0.422 0.150 0.00 0.00 +0.150 A ATOM 4 N LIG 1 2.729 1.007 -1.070 0.00 0.00 -0.337 N ATOM 5 H LIG 1 2.042 1.355 -1.723 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 4.088 1.056 -1.244 0.00 0.00 +0.066 A ATOM 7 C LIG 1 4.601 0.495 -0.082 0.00 0.00 +0.089 A ATOM 8 C LIG 1 5.990 0.392 0.075 0.00 0.00 +0.030 A ATOM 9 C LIG 1 6.818 0.861 -0.953 0.00 0.00 +0.002 A ATOM 10 C LIG 1 6.273 1.422 -2.111 0.00 0.00 +0.002 A ATOM 11 C LIG 1 4.888 1.534 -2.284 0.00 0.00 +0.028 A ATOM 12 N LIG 1 3.590 0.118 0.767 0.00 0.00 -0.227 NA ENDBRANCH 2 3 BRANCH 1 16 ATOM 13 C LIG 1 -3.892 -1.130 0.622 0.00 0.00 +0.162 A ATOM 14 C LIG 1 -3.419 0.181 0.462 0.00 0.00 +0.162 A ATOM 15 C LIG 1 -2.078 0.438 0.167 0.00 0.00 +0.057 A ATOM 16 C LIG 1 -1.169 -0.618 0.079 0.00 0.00 -0.020 A ATOM 17 C LIG 1 -1.627 -1.928 0.253 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -2.979 -2.183 0.521 0.00 0.00 +0.050 A BRANCH 13 20 ATOM 19 C LIG 1 -5.739 -2.590 1.000 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -5.232 -1.270 0.865 0.00 0.00 -0.491 OA ENDBRANCH 13 20 BRANCH 14 21 ATOM 21 O LIG 1 -4.264 1.263 0.520 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -4.492 1.631 1.881 0.00 0.00 +0.277 C ENDBRANCH 14 21 ENDBRANCH 1 16 BRANCH 2 23 ATOM 23 C LIG 1 0.741 0.789 1.857 0.00 0.00 +0.103 C ATOM 24 N LIG 1 0.400 1.235 2.873 0.00 0.00 -0.191 NA ENDBRANCH 2 23 TORSDOF 5