REMARK Name = BDB039110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.720 1.968 1.612 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.769 1.948 0.608 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.728 0.923 0.580 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.644 1.152 -0.442 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.667 2.258 -1.323 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.636 2.455 -2.252 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.567 1.560 -2.359 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.561 0.462 -1.492 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.310 -0.591 -1.304 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.208 -1.403 -0.313 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.332 -0.898 0.156 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.785 3.265 -1.222 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.567 0.249 -0.557 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.050 2.640 -0.640 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.723 2.673 1.594 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.410 -2.691 0.172 0.00 0.00 +0.055 C ATOM 17 C LIG 1 0.551 -3.877 -0.058 0.00 0.00 +0.011 C ATOM 18 C LIG 1 1.363 -4.219 1.188 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.466 -4.594 2.369 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.899 -3.904 2.344 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.834 -2.550 1.648 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 6.377 1.106 3.689 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.422 1.113 2.629 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.537 -0.809 -2.051 0.00 0.00 +0.124 C BRANCH 24 25 ATOM 25 C LIG 1 -2.812 -0.488 -1.260 0.00 0.00 +0.026 C BRANCH 25 26 ATOM 26 C LIG 1 -3.017 1.014 -0.930 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -4.106 1.249 0.147 0.00 0.00 +0.101 C ATOM 28 C LIG 1 -5.509 0.912 -0.372 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -5.841 1.720 -1.623 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.779 1.567 -2.708 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -3.371 1.844 -2.180 0.00 0.00 +0.004 C BRANCH 27 32 ATOM 32 C LIG 1 -3.799 0.512 1.434 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -4.392 -0.452 1.888 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -2.735 1.031 2.075 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -2.615 0.466 2.867 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 7