REMARK Name = BDB010137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.888 -1.308 0.851 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.689 -1.020 0.228 0.00 0.00 -0.303 N ATOM 3 C LIG 1 0.323 -1.576 0.982 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.351 -2.252 1.986 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.248 -2.990 2.933 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.574 -3.012 2.788 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.329 -2.373 1.851 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.714 -1.607 0.927 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.698 -2.070 1.900 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -3.064 -0.837 0.392 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -3.136 -0.072 -0.269 0.00 0.00 +0.149 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.410 -0.107 2.310 0.00 0.00 +0.033 C ATOM 13 C LIG 1 -4.294 -1.090 1.140 0.00 0.00 +0.100 C BRANCH 13 14 ATOM 14 C LIG 1 -5.449 -1.018 0.149 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -5.804 -2.179 -0.560 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -6.837 -2.160 -1.499 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -7.526 -0.977 -1.752 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.178 0.187 -1.070 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.144 0.170 -0.130 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 C LIG 1 2.376 -3.828 3.767 0.00 0.00 +0.375 C ATOM 21 O LIG 1 1.943 -4.468 4.709 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 3.705 -3.761 3.461 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 3.822 -3.198 2.660 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 2.458 -0.906 -0.013 0.00 0.00 -0.324 N ATOM 25 H LIG 1 2.009 -0.044 -0.303 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.900 -0.741 0.206 0.00 0.00 +0.072 C ATOM 27 C LIG 1 4.140 0.373 1.227 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 4.564 -0.461 -1.150 0.00 0.00 +0.009 C ATOM 29 C LIG 1 4.341 0.885 -1.897 0.00 0.00 +0.005 C ATOM 30 C LIG 1 5.769 0.721 -2.461 0.00 0.00 +0.001 C ATOM 31 C LIG 1 6.085 -0.143 -1.222 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.545 -0.365 -1.063 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -0.156 1.094 -0.970 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.520 1.919 0.104 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.141 3.264 0.133 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.602 3.821 -0.916 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.938 3.010 -2.007 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.560 1.665 -2.035 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.993 5.280 -0.895 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.131 5.778 0.365 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.179 5.519 -1.521 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.075 6.070 -1.515 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11