REMARK Name = BDB006320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.503 1.611 3.337 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.746 1.323 1.896 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.007 0.418 1.072 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.574 0.445 -0.204 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.083 -0.356 -1.250 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.010 -1.188 -0.993 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.608 -1.220 0.267 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.627 1.345 -0.161 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.097 -0.431 1.310 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.731 1.894 1.104 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.770 2.900 1.470 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.772 -2.126 0.473 0.00 0.00 +0.244 C ATOM 13 N LIG 1 3.687 -1.731 1.426 0.00 0.00 -0.307 N ATOM 14 H LIG 1 3.654 -0.778 1.759 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.893 -3.138 -0.208 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.936 -2.437 1.610 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 6.064 -1.717 0.917 0.00 0.00 -0.030 A ATOM 18 C LIG 1 6.912 -0.858 1.626 0.00 0.00 +0.005 A ATOM 19 C LIG 1 7.942 -0.178 0.970 0.00 0.00 +0.004 A ATOM 20 C LIG 1 8.144 -0.336 -0.408 0.00 0.00 -0.045 A ATOM 21 C LIG 1 7.286 -1.190 -1.116 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.256 -1.870 -0.461 0.00 0.00 +0.005 A BRANCH 20 23 ATOM 23 C LIG 1 9.255 0.393 -1.143 0.00 0.00 +0.013 C ATOM 24 C LIG 1 9.061 1.910 -1.090 0.00 0.00 +0.012 C ATOM 25 C LIG 1 10.636 0.001 -0.609 0.00 0.00 +0.012 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -2.466 1.696 -1.308 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.847 1.088 -1.239 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.034 -0.288 -1.046 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.321 -0.835 -1.006 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.453 -0.024 -1.163 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -6.263 1.349 -1.374 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.977 1.898 -1.415 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -7.806 -0.600 -1.123 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -8.732 -0.326 -0.096 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -10.039 -0.834 -0.146 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -10.431 -1.651 -1.204 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.524 -1.956 -2.215 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.228 -1.433 -2.177 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -8.395 0.510 1.071 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -9.039 1.459 1.477 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.315 0.042 1.719 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -7.190 0.655 2.471 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9