REMARK Name = BDB026167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.080 -1.252 0.033 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.760 -0.115 -0.008 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.146 -0.258 -0.118 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.735 -1.533 -0.205 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.880 -2.647 -0.173 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.386 -3.888 -0.259 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.496 -2.519 -0.056 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.658 -1.867 -1.723 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.726 -1.001 -0.865 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.203 -0.723 0.511 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.635 -0.544 0.671 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.543 -1.504 1.570 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.981 -2.977 1.621 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.981 -1.394 1.518 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.471 -1.045 0.169 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.283 -1.595 -0.929 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 4.199 -1.681 -0.326 0.00 0.00 -0.012 A ATOM 18 C LIG 1 4.912 -2.570 0.492 0.00 0.00 +0.047 A ATOM 19 C LIG 1 6.298 -2.701 0.378 0.00 0.00 +0.136 A ATOM 20 F LIG 1 6.914 -3.570 1.196 0.00 0.00 -0.205 F ATOM 21 C LIG 1 7.017 -1.952 -0.552 0.00 0.00 +0.072 A ATOM 22 C LIG 1 6.319 -1.060 -1.375 0.00 0.00 +0.016 A ATOM 23 C LIG 1 4.929 -0.928 -1.262 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 8.491 -2.054 -0.711 0.00 0.00 +0.244 C ATOM 25 O LIG 1 9.091 -1.381 -1.542 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 9.172 -2.920 0.094 0.00 0.00 -0.325 N ATOM 27 H LIG 1 10.175 -2.984 -0.018 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.720 -3.498 0.792 0.00 0.00 +0.145 HD ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.089 1.123 0.060 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.923 0.999 0.099 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.614 2.387 -0.002 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.790 2.700 -0.140 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.428 3.458 0.074 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -0.516 4.509 -0.930 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -1.450 5.468 -0.796 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -2.390 5.478 0.356 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -3.228 6.371 0.435 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.234 4.442 1.274 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -3.114 4.378 2.430 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -1.263 3.464 1.126 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 0.424 4.462 -2.101 0.00 0.00 +0.372 C ATOM 42 F LIG 1 0.246 3.313 -2.809 0.00 0.00 -0.204 F ATOM 43 F LIG 1 0.171 5.474 -2.980 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6