REMARK Name = BDB002517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.414 -0.361 1.873 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -1.095 -0.700 1.533 0.00 0.00 +0.113 A ATOM 3 C LIG 1 -0.923 -0.554 0.182 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.313 -0.850 -0.478 0.00 0.00 +0.278 A ATOM 5 N LIG 1 1.294 -1.272 0.413 0.00 0.00 -0.293 N ATOM 6 C LIG 1 1.037 -1.380 1.771 0.00 0.00 +0.203 A ATOM 7 O LIG 1 0.478 -0.754 -1.690 0.00 0.00 -0.265 OA ATOM 8 N LIG 1 -2.113 -0.105 -0.329 0.00 0.00 -0.337 N ATOM 9 C LIG 1 -2.400 0.162 -1.730 0.00 0.00 +0.122 C ATOM 10 C LIG 1 -3.714 0.913 -1.936 0.00 0.00 +0.022 C ATOM 11 C LIG 1 -4.817 0.336 -1.052 0.00 0.00 +0.008 C ATOM 12 C LIG 1 -4.444 0.461 0.426 0.00 0.00 +0.055 C ATOM 13 N LIG 1 -0.079 -1.132 2.385 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -3.046 -0.002 0.689 0.00 0.00 +0.039 A ENDROOT BRANCH 1 16 ATOM 15 N LIG 1 -3.536 -0.374 4.208 0.00 0.00 -0.191 NA ATOM 16 C LIG 1 -3.012 -0.375 3.171 0.00 0.00 +0.103 C ENDBRANCH 1 16 BRANCH 5 17 ATOM 17 C LIG 1 2.616 -1.598 -0.095 0.00 0.00 +0.161 C BRANCH 17 18 ATOM 18 C LIG 1 3.570 -0.430 0.021 0.00 0.00 -0.028 A ATOM 19 C LIG 1 3.559 0.591 -0.941 0.00 0.00 +0.005 A ATOM 20 C LIG 1 4.423 1.681 -0.828 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.304 1.764 0.247 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.323 0.758 1.211 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.459 -0.334 1.101 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 5 17 TORSDOF 3