REMARK Name = BDB007625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.097 -2.213 0.048 0.00 0.00 +0.145 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.692 -2.559 1.307 0.00 0.00 -0.389 OA ATOM 3 H LIG 1 1.646 -2.331 1.263 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 1.117 -2.350 -1.103 0.00 0.00 +0.137 C BRANCH 4 6 ATOM 5 C LIG 1 3.065 -1.028 -0.306 0.00 0.00 +0.262 C ATOM 6 N LIG 1 2.058 -1.246 -1.216 0.00 0.00 -0.308 N ATOM 7 H LIG 1 1.791 -0.491 -1.833 0.00 0.00 +0.149 HD ATOM 8 O LIG 1 3.233 -1.792 0.641 0.00 0.00 -0.269 OA BRANCH 5 11 ATOM 9 C LIG 1 5.211 0.062 1.608 0.00 0.00 +0.173 C ATOM 10 N LIG 1 4.809 0.637 0.344 0.00 0.00 -0.262 N ATOM 11 C LIG 1 3.849 0.165 -0.525 0.00 0.00 +0.123 A ATOM 12 C LIG 1 3.860 1.068 -1.578 0.00 0.00 +0.054 A ATOM 13 C LIG 1 4.829 2.028 -1.244 0.00 0.00 +0.135 A ATOM 14 N LIG 1 5.404 1.775 -0.072 0.00 0.00 -0.179 NA ENDBRANCH 5 11 ENDBRANCH 4 6 ENDBRANCH 1 4 BRANCH 1 15 ATOM 15 C LIG 1 -0.542 -0.810 0.164 0.00 0.00 +0.117 C BRANCH 15 16 ATOM 16 N LIG 1 -1.124 -0.278 -1.085 0.00 0.00 -0.295 NA ATOM 17 C LIG 1 -1.523 1.136 -0.923 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -2.815 1.360 -0.167 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -3.782 0.344 -0.069 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -4.985 0.590 0.606 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.237 1.844 1.162 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.289 2.858 1.052 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.503 -1.027 -0.631 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -3.085 2.620 0.388 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -2.286 -1.046 -1.569 0.00 0.00 +0.089 C ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 6