REMARK Name = BDB025883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.768 -1.129 0.074 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.394 0.229 0.227 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.953 0.602 0.210 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.958 -0.364 0.047 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.572 -1.705 -0.103 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.496 -2.667 -0.258 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.232 -2.089 -0.093 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.731 -4.653 1.493 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.294 -3.692 0.380 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.453 -3.270 -0.451 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.986 -4.364 -1.263 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.136 -2.094 -1.307 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.030 -0.934 -0.856 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.641 -1.674 -1.313 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.148 -1.448 0.063 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.564 -2.483 1.040 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.381 0.033 0.039 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.906 0.868 1.180 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.236 1.557 0.841 0.00 0.00 +0.113 C ATOM 20 N LIG 1 6.140 0.614 0.185 0.00 0.00 -0.296 N ATOM 21 C LIG 1 5.662 0.003 -1.052 0.00 0.00 +0.135 C ATOM 22 C LIG 1 4.196 -0.328 -0.969 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 7.475 1.010 0.123 0.00 0.00 +0.218 A ATOM 24 N LIG 1 8.295 0.397 -0.753 0.00 0.00 -0.221 NA ATOM 25 C LIG 1 9.595 0.769 -0.776 0.00 0.00 +0.136 A ATOM 26 C LIG 1 10.121 1.735 0.040 0.00 0.00 +0.077 A ATOM 27 CL LIG 1 11.765 2.192 -0.018 0.00 0.00 -0.080 Cl ATOM 28 C LIG 1 9.224 2.312 0.899 0.00 0.00 +0.136 A ATOM 29 N LIG 1 7.916 1.971 0.957 0.00 0.00 -0.221 NA ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.465 1.130 0.394 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.364 0.650 0.382 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.421 2.486 0.579 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.436 3.206 0.663 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.784 3.071 0.707 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.643 3.351 -0.435 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.871 3.868 -0.222 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.349 4.140 1.156 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.467 4.594 1.360 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.464 3.845 2.163 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.791 4.032 3.106 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.210 3.327 1.955 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.128 3.063 -1.810 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.998 3.458 -2.779 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.936 1.733 -2.000 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.955 3.684 -2.072 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6