REMARK Name = BDB020700 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.858 -2.715 -0.935 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -3.540 -1.403 -0.626 0.00 0.00 +0.106 A ATOM 3 N LIG 1 -2.191 -1.293 -0.335 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.643 -2.562 -0.510 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -0.253 -2.727 -0.287 0.00 0.00 +0.039 A ATOM 6 C LIG 1 0.490 -1.664 0.073 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -0.087 -0.322 0.248 0.00 0.00 -0.017 A ATOM 8 C LIG 1 0.892 0.768 0.611 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.430 -0.156 0.061 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -2.640 -3.441 -0.870 0.00 0.00 +0.042 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.937 -1.941 0.300 0.00 0.00 +0.245 C ATOM 12 N LIG 1 2.638 -2.124 -0.866 0.00 0.00 -0.307 N ATOM 13 H LIG 1 2.180 -1.937 -1.751 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 2.421 -1.955 1.424 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 4.078 -2.232 -0.887 0.00 0.00 +0.145 C BRANCH 15 16 ATOM 16 C LIG 1 4.679 -0.866 -1.047 0.00 0.00 +0.037 A ATOM 17 C LIG 1 4.580 -0.300 -2.432 0.00 0.00 +0.254 A ATOM 18 O LIG 1 3.983 -0.883 -3.333 0.00 0.00 -0.268 OA ATOM 19 N LIG 1 5.179 0.916 -2.643 0.00 0.00 -0.326 N ATOM 20 H LIG 1 5.102 1.277 -3.584 0.00 0.00 +0.169 HD ATOM 21 C LIG 1 5.811 1.652 -1.673 0.00 0.00 +0.016 A ATOM 22 C LIG 1 6.386 2.973 -2.081 0.00 0.00 +0.063 C ATOM 23 C LIG 1 5.867 1.169 -0.426 0.00 0.00 +0.024 A ATOM 24 C LIG 1 5.300 -0.132 -0.095 0.00 0.00 -0.039 A ATOM 25 C LIG 1 5.479 -0.539 1.343 0.00 0.00 +0.044 C ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 6 11 BRANCH 1 26 ATOM 26 C LIG 1 -5.178 -3.242 -1.260 0.00 0.00 +0.340 C ATOM 27 O LIG 1 -5.381 -4.420 -1.530 0.00 0.00 -0.245 OA BRANCH 26 29 ATOM 28 C LIG 1 -7.462 -2.774 -1.493 0.00 0.00 +0.280 C ATOM 29 O LIG 1 -6.149 -2.282 -1.219 0.00 0.00 -0.464 OA ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 9 30 ATOM 30 C LIG 1 -2.183 1.170 0.277 0.00 0.00 +0.101 C ATOM 31 C LIG 1 -2.026 2.016 -1.001 0.00 0.00 +0.031 C BRANCH 30 32 ATOM 32 N LIG 1 -1.800 1.864 1.536 0.00 0.00 -0.290 NA ATOM 33 C LIG 1 -2.129 1.017 2.720 0.00 0.00 +0.113 C ATOM 34 C LIG 1 -2.712 1.792 3.913 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -3.915 2.480 3.553 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -3.810 3.180 2.307 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -2.393 3.204 1.712 0.00 0.00 +0.113 C ENDBRANCH 30 32 ENDBRANCH 9 30 TORSDOF 7