REMARK Name = BDB032407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.633 -0.883 -0.464 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.049 -2.102 -0.562 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -1.420 -2.162 -0.319 0.00 0.00 +0.128 A ATOM 4 F LIG 1 -2.034 -3.351 -0.410 0.00 0.00 -0.205 F ATOM 5 C LIG 1 -2.154 -1.021 0.010 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.472 0.200 0.108 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.096 0.269 -0.135 0.00 0.00 +0.006 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.111 -0.809 -0.761 0.00 0.00 +0.195 C BRANCH 8 9 ATOM 9 O LIG 1 2.746 0.052 0.181 0.00 0.00 -0.372 OA BRANCH 9 13 ATOM 10 N LIG 1 6.852 0.723 0.765 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 6.501 -0.383 -0.132 0.00 0.00 +0.087 C ATOM 12 C LIG 1 5.043 -0.803 0.055 0.00 0.00 +0.047 C ATOM 13 C LIG 1 4.098 0.379 -0.154 0.00 0.00 +0.121 C ATOM 14 C LIG 1 4.522 1.538 0.745 0.00 0.00 +0.047 C ATOM 15 C LIG 1 5.992 1.892 0.536 0.00 0.00 +0.087 C BRANCH 10 17 ATOM 16 C LIG 1 8.894 1.392 -0.599 0.00 0.00 +0.024 C ATOM 17 C LIG 1 8.286 1.082 0.774 0.00 0.00 +0.050 C ATOM 18 C LIG 1 9.110 -0.002 1.481 0.00 0.00 +0.024 C ENDBRANCH 10 17 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 19 ATOM 19 C LIG 1 -3.631 -1.114 0.296 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 N LIG 1 -4.358 -0.141 -0.516 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -4.015 -0.121 -1.475 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -5.754 -0.101 -0.468 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -6.512 -0.575 0.609 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -7.916 -0.448 0.649 0.00 0.00 -0.011 A ATOM 25 C LIG 1 -8.597 0.200 -0.401 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -10.008 0.296 -0.307 0.00 0.00 +0.124 A ATOM 27 N LIG 1 -10.710 -0.197 0.730 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 -10.026 -0.804 1.717 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -7.826 0.715 -1.466 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -8.652 -0.952 1.725 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -6.434 0.576 -1.485 0.00 0.00 +0.023 A BRANCH 26 32 ATOM 32 N LIG 1 -10.764 0.928 -1.308 0.00 0.00 -0.343 N ATOM 33 H LIG 1 -10.459 1.892 -1.393 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 -10.603 0.456 -2.192 0.00 0.00 +0.144 HD ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 8