REMARK Name = BDB065076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.566 1.190 0.480 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -1.982 0.224 1.210 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -1.620 0.541 2.468 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -1.887 1.781 3.027 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -1.502 2.092 4.394 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.859 1.165 5.110 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.525 -0.168 4.546 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.091 -0.959 5.258 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.530 2.683 2.204 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -0.934 -0.427 3.251 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -2.880 2.417 0.932 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -1.918 0.958 -1.901 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -2.876 0.876 -0.899 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -4.136 0.444 -1.306 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.390 0.129 -2.604 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -3.385 0.259 -3.479 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -2.146 0.661 -3.196 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -5.279 0.264 -0.320 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.015 1.472 0.213 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.704 0.547 -0.742 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 0.312 1.298 -2.579 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -0.653 1.385 -1.536 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.590 -1.705 2.635 0.00 0.00 +0.162 C BRANCH 23 24 ATOM 24 C LIG 1 0.623 -1.619 1.733 0.00 0.00 -0.028 A ATOM 25 C LIG 1 1.902 -1.417 2.264 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.015 -1.305 1.421 0.00 0.00 +0.010 A ATOM 27 C LIG 1 2.889 -1.397 0.023 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.599 -1.607 -0.492 0.00 0.00 +0.010 A ATOM 29 C LIG 1 0.484 -1.717 0.345 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 4.048 -1.268 -0.885 0.00 0.00 +0.071 A ATOM 31 N LIG 1 3.790 -0.710 -2.098 0.00 0.00 -0.254 NA ATOM 32 C LIG 1 4.817 -0.565 -2.968 0.00 0.00 +0.123 A ATOM 33 C LIG 1 6.118 -0.961 -2.706 0.00 0.00 +0.073 A ATOM 34 C LIG 1 6.373 -1.533 -1.460 0.00 0.00 +0.016 A ATOM 35 C LIG 1 5.332 -1.692 -0.544 0.00 0.00 +0.029 A BRANCH 33 36 ATOM 36 C LIG 1 7.189 -0.739 -3.727 0.00 0.00 +0.419 C ATOM 37 F LIG 1 7.674 0.533 -3.701 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.761 -0.949 -5.002 0.00 0.00 -0.166 F ATOM 39 F LIG 1 8.268 -1.553 -3.558 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 7