REMARK Name = BDB035480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.607 -1.015 0.502 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.604 -1.457 1.049 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.843 -2.137 2.030 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.677 -0.928 0.198 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.044 -1.090 0.332 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.873 -0.477 -0.617 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.294 0.287 -1.661 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.900 0.441 -1.782 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.105 -0.186 -0.828 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.382 -0.205 -0.687 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.359 -1.032 0.811 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.051 -0.764 0.360 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.913 -1.306 0.990 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.115 -2.132 2.100 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.401 -2.415 2.564 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.512 -1.872 1.925 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.624 -0.454 0.174 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 4.475 2.035 1.836 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.835 1.573 1.768 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.356 0.510 1.072 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.654 0.459 1.312 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 7.983 1.484 2.161 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.882 2.142 2.430 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.399 0.170 -1.217 0.00 0.00 +0.009 C ATOM 25 C LIG 1 5.015 -0.808 -2.366 0.00 0.00 +0.041 C ATOM 26 C LIG 1 6.499 -0.846 -2.786 0.00 0.00 +0.167 C ATOM 27 F LIG 1 6.731 -0.831 -4.117 0.00 0.00 -0.245 F ATOM 28 C LIG 1 6.670 0.500 -2.055 0.00 0.00 +0.041 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.285 1.258 -2.886 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.561 2.306 -2.403 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.185 1.786 -3.756 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.414 0.528 -3.637 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.378 -0.599 -0.516 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.956 0.664 -0.055 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.460 0.951 0.789 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.417 0.581 0.112 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.765 -0.215 1.402 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.716 0.938 1.784 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.864 1.859 0.885 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.193 0.299 -1.162 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8