REMARK Name = BDB020076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.188 -1.095 0.112 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.364 0.263 0.405 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.528 0.706 1.050 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.506 -0.237 1.407 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.333 -1.604 1.136 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.165 -2.025 0.485 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.722 2.136 1.347 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -1.190 2.703 2.535 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.409 1.876 3.525 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.380 4.068 2.800 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.091 4.859 1.910 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.268 6.159 2.179 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.623 4.324 0.746 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.445 2.964 0.448 0.00 0.00 -0.040 A ATOM 15 C LIG 1 -3.038 2.419 -0.826 0.00 0.00 +0.044 C ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 1.553 -0.765 -1.545 0.00 0.00 -0.307 N ATOM 17 H LIG 1 1.098 0.108 -1.767 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.041 -1.584 -0.564 0.00 0.00 +0.244 C ATOM 19 O LIG 1 1.535 -2.657 -0.240 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.817 -1.042 -2.187 0.00 0.00 +0.140 C BRANCH 20 25 ATOM 21 C LIG 1 5.475 0.163 0.258 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.897 1.346 -0.360 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.333 1.758 -1.568 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.339 0.976 -2.161 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.911 -0.216 -1.563 0.00 0.00 -0.023 A ATOM 26 C LIG 1 4.484 -0.613 -0.345 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 5.694 -1.302 2.118 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.103 -0.119 1.441 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 5.655 2.893 -2.262 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.674 3.715 -1.706 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 31 ATOM 31 C LIG 1 -3.406 -2.606 1.503 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.309 -2.830 0.396 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.160 -3.876 -0.518 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -3.268 -4.799 -0.491 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -3.408 -5.422 -1.286 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -5.192 -3.674 -1.442 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.404 -4.466 -2.627 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -5.903 -2.530 -1.103 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -5.369 -2.018 0.015 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8