REMARK Name = BDB032351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.077 1.028 0.581 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.749 -0.242 0.290 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -0.577 -0.463 -0.351 0.00 0.00 +0.118 A ATOM 4 C LIG 1 0.317 0.533 -0.734 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.009 1.852 -0.391 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.883 3.013 -0.727 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -1.225 2.087 0.267 0.00 0.00 +0.047 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -4.500 1.418 0.390 0.00 0.00 +0.143 C ATOM 9 N LIG 1 -3.275 1.314 1.249 0.00 0.00 -0.303 N ATOM 10 C LIG 1 -3.483 0.401 2.401 0.00 0.00 +0.129 C ATOM 11 C LIG 1 -3.989 -1.001 2.021 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -4.989 -0.962 0.978 0.00 0.00 -0.305 N ATOM 13 C LIG 1 -5.842 -1.950 0.568 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.620 -1.454 -0.379 0.00 0.00 -0.125 NA ATOM 15 N LIG 1 -6.256 -0.145 -0.598 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 -5.248 0.132 0.200 0.00 0.00 +0.154 A BRANCH 13 17 ATOM 17 C LIG 1 -5.845 -3.314 1.145 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -6.699 -4.166 0.526 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -6.193 -3.294 2.461 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -4.612 -3.885 1.092 0.00 0.00 -0.163 F ENDBRANCH 13 17 BRANCH 8 22 ATOM 21 C LIG 1 -3.827 1.517 -2.139 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -4.349 2.245 -0.904 0.00 0.00 +0.027 C ENDBRANCH 8 22 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 1.590 0.144 -1.441 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 2.602 -0.189 -0.448 0.00 0.00 -0.339 N ATOM 25 H LIG 1 2.599 0.476 0.322 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 3.922 -0.493 -0.839 0.00 0.00 +0.035 A ATOM 27 C LIG 1 4.940 -0.644 0.158 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.269 -0.959 -0.225 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.253 -1.067 0.791 0.00 0.00 +0.124 A ATOM 30 N LIG 1 6.988 -0.905 2.098 0.00 0.00 -0.240 NA ATOM 31 C LIG 1 5.719 -0.638 2.444 0.00 0.00 +0.113 A ATOM 32 C LIG 1 6.550 -1.162 -1.593 0.00 0.00 +0.012 A ATOM 33 C LIG 1 5.550 -1.078 -2.555 0.00 0.00 +0.003 A ATOM 34 C LIG 1 4.686 -0.502 1.536 0.00 0.00 +0.030 A ATOM 35 C LIG 1 4.249 -0.761 -2.177 0.00 0.00 +0.023 A BRANCH 29 36 ATOM 36 N LIG 1 8.591 -1.370 0.486 0.00 0.00 -0.343 N ATOM 37 H LIG 1 8.959 -0.665 -0.143 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 8.631 -2.275 0.028 0.00 0.00 +0.144 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7