REMARK Name = BDB026243 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 -0.005 1.282 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.233 0.952 0.435 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.242 0.570 -0.458 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.691 -0.762 -0.526 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.087 -1.686 0.335 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.487 -2.968 0.352 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.069 -1.322 1.220 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.888 -0.919 1.115 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.506 -0.991 1.781 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.602 -1.259 3.243 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.275 -2.525 3.543 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.242 -1.274 3.830 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.411 -0.005 3.541 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.426 0.417 2.128 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.769 0.351 1.503 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.747 -1.161 -1.467 0.00 0.00 +0.076 A ATOM 17 N LIG 1 2.514 -2.300 -2.167 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 3.432 -2.742 -3.053 0.00 0.00 +0.122 A ATOM 19 C LIG 1 4.601 -2.018 -3.285 0.00 0.00 +0.044 A ATOM 20 C LIG 1 4.843 -0.846 -2.576 0.00 0.00 +0.005 A ATOM 21 C LIG 1 3.905 -0.411 -1.650 0.00 0.00 +0.028 A BRANCH 18 22 ATOM 22 N LIG 1 3.190 -3.925 -3.782 0.00 0.00 -0.311 N ATOM 23 C LIG 1 4.206 -4.970 -3.527 0.00 0.00 +0.134 C ATOM 24 C LIG 1 3.906 -6.205 -4.395 0.00 0.00 +0.178 C ATOM 25 O LIG 1 2.582 -6.711 -4.164 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 1.607 -5.693 -4.451 0.00 0.00 +0.178 C ATOM 27 C LIG 1 1.819 -4.448 -3.576 0.00 0.00 +0.134 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.214 2.284 0.581 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -0.959 2.367 1.270 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 0.302 3.420 0.007 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.260 3.503 -0.752 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -0.371 4.664 0.483 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -1.750 5.020 0.187 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -2.239 6.180 0.663 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -1.403 7.099 1.482 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -1.905 8.136 1.903 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -0.092 6.691 1.701 0.00 0.00 -0.318 N ATOM 38 C LIG 1 0.802 7.542 2.471 0.00 0.00 +0.152 C ATOM 39 C LIG 1 0.402 5.497 1.199 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.584 4.114 -0.664 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.927 2.994 0.026 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.919 3.702 -1.772 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6