REMARK Name = BDB008754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.409 -0.324 -0.179 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.298 -1.038 -0.412 0.00 0.00 -0.220 NA ATOM 3 C LIG 1 0.874 -0.556 0.057 0.00 0.00 +0.158 A ATOM 4 C LIG 1 0.993 0.627 0.781 0.00 0.00 +0.162 A ATOM 5 C LIG 1 -0.161 1.392 0.989 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -1.379 0.887 0.506 0.00 0.00 +0.056 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.145 2.672 1.702 0.00 0.00 +0.011 A ATOM 8 C LIG 1 0.300 3.881 1.117 0.00 0.00 +0.076 A ATOM 9 C LIG 1 0.297 5.085 1.828 0.00 0.00 +0.020 A ATOM 10 C LIG 1 0.803 6.046 0.930 0.00 0.00 +0.143 A ATOM 11 N LIG 1 1.101 5.529 -0.260 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -0.160 5.119 3.158 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -0.612 3.941 3.750 0.00 0.00 +0.001 A ATOM 14 N LIG 1 0.795 4.221 -0.127 0.00 0.00 -0.266 N ATOM 15 C LIG 1 1.001 3.364 -1.272 0.00 0.00 +0.173 C ATOM 16 C LIG 1 -0.606 2.747 3.034 0.00 0.00 +0.011 A ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -2.923 -1.965 -1.265 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -2.650 -0.763 -0.638 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -3.478 -0.211 -0.437 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -2.131 -2.865 -1.519 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.415 -2.034 -1.695 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.861 -3.486 -1.850 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -6.544 -0.925 -1.238 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -5.236 -1.285 -0.701 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -5.370 -1.887 0.117 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 2.003 -1.367 -0.277 0.00 0.00 -0.037 C ATOM 27 C LIG 1 2.951 -2.052 -0.553 0.00 0.00 -0.059 C BRANCH 27 28 ATOM 28 C LIG 1 4.073 -2.876 -0.878 0.00 0.00 +0.025 A ATOM 29 C LIG 1 5.361 -2.336 -0.881 0.00 0.00 +0.017 A ATOM 30 C LIG 1 6.456 -3.144 -1.196 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.263 -4.491 -1.506 0.00 0.00 +0.000 A ATOM 32 C LIG 1 4.977 -5.030 -1.506 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.882 -4.223 -1.192 0.00 0.00 +0.017 A ENDBRANCH 27 28 ENDBRANCH 3 26 BRANCH 4 34 ATOM 34 O LIG 1 2.213 1.094 1.196 0.00 0.00 -0.492 OA ATOM 35 C LIG 1 2.555 0.547 2.470 0.00 0.00 +0.277 C ENDBRANCH 4 34 TORSDOF 7