REMARK Name = BDB057792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.096 0.562 -1.374 0.00 0.00 +0.005 A ATOM 2 C LIG 1 1.787 1.050 -0.264 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.054 1.431 0.862 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.344 1.331 0.872 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.058 0.839 -0.230 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -0.301 0.464 -1.353 0.00 0.00 +0.023 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.457 0.731 -0.253 0.00 0.00 -0.330 N ATOM 8 C LIG 1 -2.964 -0.571 -0.722 0.00 0.00 +0.106 C ATOM 9 C LIG 1 -4.416 -0.814 -0.304 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -5.239 0.459 -0.530 0.00 0.00 +0.060 C ATOM 11 C LIG 1 -4.688 1.614 0.329 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -3.242 1.404 0.783 0.00 0.00 +0.106 C BRANCH 10 13 ATOM 13 N LIG 1 -6.695 0.344 -0.349 0.00 0.00 -0.299 NA ATOM 14 C LIG 1 -7.380 -0.341 -1.445 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -8.780 -0.583 -0.894 0.00 0.00 +0.017 C ATOM 16 C LIG 1 -8.647 -0.449 0.619 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -7.152 -0.321 0.868 0.00 0.00 +0.085 C ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 2 18 ATOM 18 C LIG 1 3.294 1.140 -0.270 0.00 0.00 +0.050 C BRANCH 18 19 ATOM 19 C LIG 1 3.942 -0.181 0.181 0.00 0.00 +0.089 C BRANCH 19 20 ATOM 20 N LIG 1 5.413 -0.117 0.324 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 5.930 -1.342 0.943 0.00 0.00 +0.084 C ATOM 22 C LIG 1 7.093 -1.026 1.888 0.00 0.00 +0.015 C ATOM 23 C LIG 1 8.424 -0.700 1.218 0.00 0.00 +0.001 C ATOM 24 C LIG 1 8.370 0.412 0.175 0.00 0.00 +0.001 C ATOM 25 C LIG 1 7.576 0.000 -1.060 0.00 0.00 +0.015 C ATOM 26 C LIG 1 6.064 0.227 -0.948 0.00 0.00 +0.084 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 2 18 TORSDOF 5