REMARK Name = BDB037432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.225 -1.775 0.839 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.886 -0.543 0.996 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.264 0.689 0.937 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.190 1.606 1.480 0.00 0.00 +0.087 A ATOM 5 N LIG 1 -3.344 0.996 1.792 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.148 0.855 0.512 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.930 -0.406 0.916 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.228 -0.250 1.247 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.176 -1.741 0.675 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.837 -2.762 0.442 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.082 1.200 -0.973 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.290 2.538 -1.366 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.229 2.912 -2.710 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.032 1.953 -3.676 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.086 2.307 -4.967 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.234 0.626 -3.323 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.179 0.250 -1.978 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.415 -0.946 0.905 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.571 -0.758 1.674 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.753 -1.416 1.329 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.792 -2.237 0.203 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.655 -2.389 -0.590 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.470 -1.736 -0.247 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.267 -0.500 0.321 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.530 -1.421 -0.018 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.251 0.409 0.630 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.055 1.379 1.355 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.603 0.147 0.067 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.717 0.681 0.731 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.014 0.471 0.236 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.179 -0.287 -0.933 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.072 -0.806 -1.606 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.785 -0.587 -1.112 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.216 1.017 0.969 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.935 2.111 1.729 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.222 1.394 0.132 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.759 0.101 1.817 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.845 -3.991 -0.166 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.819 -3.095 1.068 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.027 3.071 1.752 0.00 0.00 +0.170 C BRANCH 40 41 ATOM 41 N LIG 1 -3.129 3.799 1.074 0.00 0.00 -0.277 N ATOM 42 H LIG 1 -4.016 3.315 1.273 0.00 0.00 +0.158 HD BRANCH 41 43 ATOM 43 C LIG 1 -2.977 4.365 -0.126 0.00 0.00 +0.167 C ATOM 44 N LIG 1 -2.830 4.857 -1.163 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9