REMARK Name = BDB026126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.940 -0.815 1.089 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.657 0.421 0.450 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.651 0.760 0.081 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.730 -0.098 0.356 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.436 -1.299 1.015 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.421 -2.157 1.323 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.135 -1.655 1.378 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.852 -3.594 -1.126 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.016 -3.194 0.098 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.508 -3.834 1.349 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.486 -5.297 1.284 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.683 -3.380 2.491 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.598 -1.844 2.640 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.279 -1.136 1.383 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.050 -1.643 0.217 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.107 0.264 -0.027 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.981 -0.652 -0.619 0.00 0.00 +0.123 A ATOM 18 N LIG 1 5.254 -0.384 -1.003 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 5.697 0.870 -0.788 0.00 0.00 +0.215 A ATOM 20 C LIG 1 4.926 1.861 -0.209 0.00 0.00 +0.068 A ATOM 21 C LIG 1 3.620 1.553 0.173 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 O LIG 1 6.981 1.229 -1.143 0.00 0.00 -0.476 OA BRANCH 22 23 ATOM 23 C LIG 1 7.761 0.184 -1.729 0.00 0.00 +0.234 C BRANCH 23 24 ATOM 24 C LIG 1 8.449 -0.613 -0.661 0.00 0.00 +0.027 C ATOM 25 C LIG 1 9.648 -0.053 0.063 0.00 0.00 +0.007 C ATOM 26 C LIG 1 9.819 -1.197 -0.899 0.00 0.00 +0.007 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 27 ATOM 27 N LIG 1 -1.762 1.281 0.266 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.618 0.896 0.661 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.810 2.489 -0.381 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.907 3.056 -0.984 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -3.170 3.102 -0.356 0.00 0.00 +0.062 A ATOM 32 C LIG 1 -3.906 3.371 -1.581 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -5.114 3.958 -1.505 0.00 0.00 +0.080 A ATOM 34 C LIG 1 -5.707 4.338 -0.195 0.00 0.00 +0.252 A ATOM 35 O LIG 1 -6.810 4.874 -0.173 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.936 4.043 0.928 0.00 0.00 -0.318 N ATOM 37 C LIG 1 -5.438 4.399 2.247 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.689 3.446 0.833 0.00 0.00 +0.102 A BRANCH 32 39 ATOM 39 C LIG 1 -3.289 2.953 -2.885 0.00 0.00 +0.372 C ATOM 40 F LIG 1 -3.094 1.605 -2.905 0.00 0.00 -0.204 F ATOM 41 F LIG 1 -4.120 3.216 -3.934 0.00 0.00 -0.204 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 8