REMARK Name = BDB035653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.548 -0.205 -0.678 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.621 -0.022 -1.423 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.853 -0.185 -2.607 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.654 0.451 -0.493 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.972 0.770 -0.766 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.772 1.210 0.294 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.217 1.299 1.594 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.873 0.966 1.857 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.101 0.543 0.780 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.338 0.139 0.724 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.185 -1.189 -0.767 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.915 -0.755 -0.315 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.803 -0.659 -1.169 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.984 -1.022 -2.506 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.225 -1.466 -2.972 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.317 -1.549 -2.112 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.335 -1.220 0.242 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 5.617 1.581 -1.342 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.848 1.317 0.053 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.735 0.138 0.753 0.00 0.00 +0.141 A ATOM 21 N LIG 1 6.021 0.386 2.019 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 6.332 1.714 2.148 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.222 2.261 0.963 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.509 -2.100 -0.191 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.654 -1.591 -1.085 0.00 0.00 +0.166 C ATOM 26 O LIG 1 8.631 -2.259 -0.245 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.647 -2.337 0.824 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.339 1.058 3.260 0.00 0.00 +0.372 C ATOM 29 F LIG 1 -1.544 2.286 3.814 0.00 0.00 -0.204 F ATOM 30 F LIG 1 0.004 0.836 3.344 0.00 0.00 -0.204 F ENDBRANCH 8 28 BRANCH 6 31 ATOM 31 C LIG 1 -5.226 1.566 0.067 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -6.093 0.538 0.643 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.763 -0.374 0.325 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -7.525 0.787 0.374 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -8.307 -0.452 0.902 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -8.208 -1.080 -0.501 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.894 0.321 -1.061 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.052 2.119 0.870 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8