REMARK Name = BDB026124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.323 -0.814 0.697 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.546 0.294 0.285 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.829 0.152 0.064 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.475 -1.084 0.257 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.682 -2.165 0.672 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.238 -3.368 0.885 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.690 -2.043 0.889 0.00 0.00 +0.064 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -5.319 -1.949 1.453 0.00 0.00 +0.056 C ATOM 9 C LIG 1 -4.097 -2.069 2.384 0.00 0.00 +0.037 C ATOM 10 C LIG 1 -3.167 -0.866 2.282 0.00 0.00 +0.106 C ATOM 11 N LIG 1 -2.715 -0.630 0.893 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -3.509 -1.284 -0.168 0.00 0.00 +0.106 C ATOM 13 C LIG 1 -4.989 -1.156 0.175 0.00 0.00 +0.037 C BRANCH 8 15 ATOM 14 C LIG 1 -7.720 -1.520 1.494 0.00 0.00 +0.101 C ATOM 15 N LIG 1 -6.449 -1.363 2.190 0.00 0.00 -0.316 NA ATOM 16 H LIG 1 -6.282 -0.372 2.364 0.00 0.00 +0.122 HD ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 C LIG 1 2.921 -1.227 0.030 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.852 -0.281 0.410 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.186 -0.385 0.213 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.646 -1.486 -0.401 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.827 -2.467 -0.809 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.501 -2.318 -0.586 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.006 -1.623 -0.590 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.829 -0.430 -0.378 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.299 -0.761 -0.673 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.532 -1.209 -2.018 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.395 -1.861 -2.607 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.491 -2.578 -1.591 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.252 1.506 0.130 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.246 1.391 0.329 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.751 2.746 -0.173 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.421 3.051 -0.358 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.802 3.804 -0.197 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.877 3.869 -1.181 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.763 4.884 -1.121 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.655 5.924 -0.068 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.466 6.837 0.006 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.600 5.785 0.799 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -2.512 6.506 1.506 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.688 4.761 0.738 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.947 2.826 -2.252 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.763 2.639 -2.881 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.853 3.136 -3.216 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.332 1.628 -1.744 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7