REMARK Name = BDB026307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.374 -0.307 0.225 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.068 -1.664 0.026 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.041 -2.589 0.072 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.233 -2.110 -0.204 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.289 -1.199 -0.234 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.008 0.174 -0.046 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.304 0.608 0.174 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.633 -1.585 -0.435 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.196 -2.366 0.695 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.514 -3.128 0.323 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.231 -4.619 0.073 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.239 -2.460 -0.772 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.561 -2.999 -1.052 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.424 -2.313 -1.994 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.896 -2.165 -1.762 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.341 0.996 0.989 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.324 1.554 1.670 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.069 1.127 1.403 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.749 0.147 0.485 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.863 -0.361 -0.150 0.00 0.00 +0.124 A ATOM 21 N LIG 1 5.137 0.036 0.081 0.00 0.00 -0.222 NA BRANCH 16 24 ATOM 22 C LIG 1 7.647 0.704 -0.953 0.00 0.00 +0.030 C ATOM 23 C LIG 1 7.812 0.936 0.545 0.00 0.00 +0.099 C ATOM 24 N LIG 1 6.628 1.442 1.277 0.00 0.00 -0.292 N ATOM 25 C LIG 1 6.815 1.492 2.748 0.00 0.00 +0.136 C ATOM 26 C LIG 1 8.281 1.250 3.143 0.00 0.00 +0.179 C ATOM 27 O LIG 1 8.798 0.005 2.641 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 8.392 -0.284 1.286 0.00 0.00 +0.182 C ENDBRANCH 16 24 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.126 1.032 -0.115 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.985 0.512 -0.304 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.167 2.388 0.090 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -1.253 3.122 0.442 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.508 2.989 -0.093 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.190 2.950 -1.323 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.466 3.538 -1.394 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -6.018 4.164 -0.279 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -7.230 4.723 -0.373 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -5.328 4.226 0.924 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -4.067 3.641 1.019 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -3.590 2.313 -2.547 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.287 2.638 -2.753 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.236 2.662 -3.697 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.648 0.954 -2.502 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6