REMARK Name = BDB035319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.612 -0.111 -1.128 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.451 0.657 -2.226 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.517 1.058 -2.962 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.802 0.664 -2.600 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.990 -0.167 -1.498 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -2.877 -0.555 -0.757 0.00 0.00 +0.057 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.955 -1.129 0.775 0.00 0.00 +0.031 A ATOM 8 N LIG 1 3.232 -0.850 -0.365 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.607 -0.723 -1.298 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.903 -0.752 -0.050 0.00 0.00 +0.114 A ATOM 11 C LIG 1 1.776 -0.974 1.302 0.00 0.00 +0.024 A ATOM 12 C LIG 1 0.476 -0.913 1.870 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -0.576 -0.646 1.067 0.00 0.00 +0.115 A ATOM 14 N LIG 1 -0.463 -0.429 -0.325 0.00 0.00 -0.265 N ATOM 15 C LIG 1 0.814 -0.473 -0.966 0.00 0.00 +0.281 A ATOM 16 O LIG 1 1.046 -0.360 -2.165 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.059 -1.214 1.831 0.00 0.00 +0.034 A BRANCH 12 18 ATOM 18 C LIG 1 0.283 -1.111 3.268 0.00 0.00 +0.101 C ATOM 19 N LIG 1 0.085 -1.282 4.399 0.00 0.00 -0.191 NA ENDBRANCH 12 18 BRANCH 7 20 ATOM 20 C LIG 1 5.442 -1.290 0.747 0.00 0.00 +0.137 C BRANCH 20 24 ATOM 21 C LIG 1 8.604 -0.338 -0.501 0.00 0.00 +0.009 C ATOM 22 C LIG 1 8.562 0.189 0.936 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.518 -0.541 1.796 0.00 0.00 +0.088 C ATOM 24 N LIG 1 6.113 -0.233 1.505 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 5.898 1.107 0.944 0.00 0.00 +0.085 C ATOM 26 C LIG 1 6.945 2.111 1.421 0.00 0.00 +0.016 C ATOM 27 C LIG 1 8.350 1.712 0.971 0.00 0.00 +0.006 C ENDBRANCH 20 24 ENDBRANCH 7 20 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -5.332 -0.611 -1.112 0.00 0.00 +0.081 A ATOM 29 N LIG 1 -6.184 -1.305 -1.947 0.00 0.00 -0.266 N ATOM 30 C LIG 1 -5.917 -1.788 -3.284 0.00 0.00 +0.173 C ATOM 31 N LIG 1 -7.386 -1.560 -1.403 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 -7.292 -1.051 -0.177 0.00 0.00 +0.148 A ATOM 33 C LIG 1 -6.024 -0.486 0.096 0.00 0.00 +0.082 A BRANCH 33 34 ATOM 34 C LIG 1 -5.552 0.147 1.323 0.00 0.00 +0.250 C ATOM 35 N LIG 1 -6.254 -0.142 2.478 0.00 0.00 -0.292 N ATOM 36 C LIG 1 -5.852 0.258 3.828 0.00 0.00 +0.146 C ATOM 37 C LIG 1 -5.999 -1.210 4.241 0.00 0.00 +0.200 C ATOM 38 F LIG 1 -6.693 -1.448 5.378 0.00 0.00 -0.242 F ATOM 39 C LIG 1 -6.760 -1.439 2.927 0.00 0.00 +0.146 C ATOM 40 O LIG 1 -4.579 0.899 1.342 0.00 0.00 -0.270 OA ENDBRANCH 33 34 ENDBRANCH 5 28 BRANCH 3 41 ATOM 41 C LIG 1 -2.217 1.941 -4.158 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.059 1.919 -5.411 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.094 3.120 -4.509 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 7