REMARK Name = BDB029561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.314 -2.307 0.059 0.00 0.00 +0.064 A ATOM 2 C LIG 1 3.387 -3.654 -0.298 0.00 0.00 +0.148 A ATOM 3 F LIG 1 4.356 -4.425 0.221 0.00 0.00 -0.203 F ATOM 4 C LIG 1 2.496 -4.219 -1.201 0.00 0.00 +0.086 A ATOM 5 C LIG 1 1.471 -3.456 -1.784 0.00 0.00 +0.136 A ATOM 6 O LIG 1 0.736 -4.225 -2.635 0.00 0.00 -0.490 OA ATOM 7 C LIG 1 -0.084 -3.572 -3.587 0.00 0.00 +0.248 C ATOM 8 C LIG 1 -1.221 -2.853 -2.896 0.00 0.00 +0.149 C ATOM 9 N LIG 1 -0.845 -1.480 -2.606 0.00 0.00 -0.292 N ATOM 10 C LIG 1 0.274 -1.124 -1.858 0.00 0.00 +0.250 C ATOM 11 O LIG 1 0.421 0.055 -1.518 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 1.322 -2.112 -1.420 0.00 0.00 +0.080 A ATOM 13 C LIG 1 2.259 -1.571 -0.491 0.00 0.00 +0.042 A ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 4.203 -1.806 1.015 0.00 0.00 -0.339 N ATOM 15 H LIG 1 5.020 -2.413 1.105 0.00 0.00 +0.146 HD BRANCH 14 21 ATOM 16 C LIG 1 8.108 3.101 2.603 0.00 0.00 +0.109 C ATOM 17 C LIG 1 8.029 2.131 1.450 0.00 0.00 +0.212 C ATOM 18 N LIG 1 6.945 1.263 1.431 0.00 0.00 -0.302 N ATOM 19 C LIG 1 5.954 1.174 2.502 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.211 -0.154 2.484 0.00 0.00 +0.041 C ATOM 21 C LIG 1 4.504 -0.376 1.138 0.00 0.00 +0.073 C ATOM 22 C LIG 1 5.333 0.129 -0.055 0.00 0.00 +0.041 C ATOM 23 C LIG 1 6.798 0.345 0.303 0.00 0.00 +0.109 C ATOM 24 O LIG 1 8.903 2.126 0.583 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 9 25 ATOM 25 C LIG 1 -1.893 -0.461 -2.783 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -2.868 -0.412 -1.595 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.761 -1.538 -1.657 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -4.537 -1.260 -1.126 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -3.711 0.881 -1.627 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.807 0.843 -0.629 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.796 1.897 -0.943 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.883 2.045 0.101 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -6.689 1.582 1.413 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -7.697 1.758 2.371 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -8.880 2.414 2.035 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.068 2.892 0.740 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.427 0.841 1.769 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -8.074 2.712 -0.222 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.305 1.054 0.742 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 9 25 TORSDOF 7