REMARK Name = BDB006368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.063 1.492 3.217 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.711 1.330 1.778 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.414 0.546 0.812 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.739 0.664 -0.405 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.172 -0.008 -1.562 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.318 -0.803 -1.478 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.023 -0.923 -0.280 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.345 1.500 -0.188 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.571 -0.264 0.873 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.364 1.921 1.129 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.411 2.832 1.677 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.240 -1.782 -0.261 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.218 -1.432 0.646 0.00 0.00 -0.307 N ATOM 14 H LIG 1 5.166 -0.526 1.091 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.348 -2.716 -1.047 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.495 -2.107 0.672 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 7.522 -1.344 -0.126 0.00 0.00 -0.027 A ATOM 18 C LIG 1 8.394 -0.443 0.502 0.00 0.00 +0.046 A ATOM 19 C LIG 1 9.320 0.271 -0.255 0.00 0.00 +0.159 A ATOM 20 F LIG 1 10.148 1.126 0.361 0.00 0.00 -0.202 F ATOM 21 C LIG 1 9.385 0.103 -1.632 0.00 0.00 +0.158 A ATOM 22 F LIG 1 10.277 0.794 -2.355 0.00 0.00 -0.202 F ATOM 23 C LIG 1 8.524 -0.779 -2.273 0.00 0.00 +0.041 A ATOM 24 C LIG 1 7.591 -1.500 -1.522 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -1.296 1.912 -1.222 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -2.636 1.225 -1.102 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -3.814 1.985 -1.096 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.063 1.364 -1.005 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.170 -0.032 -0.925 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -3.991 -0.790 -0.950 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -2.740 -0.172 -1.040 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.486 -0.683 -0.833 0.00 0.00 -0.004 A ATOM 33 C LIG 1 -7.327 -0.567 0.292 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -8.609 -1.138 0.298 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -9.057 -1.863 -0.804 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.231 -2.012 -1.915 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.962 -1.426 -1.930 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -6.925 0.162 1.510 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -7.574 1.027 2.067 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -5.772 -0.309 2.010 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -5.609 0.229 2.810 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 8