REMARK Name = BDB037358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.501 -1.772 1.692 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.558 -1.112 1.044 0.00 0.00 +0.137 A ATOM 3 C LIG 1 -0.405 -0.043 0.180 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.699 0.496 -0.005 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.590 -0.195 0.694 0.00 0.00 -0.149 NA ATOM 6 C LIG 1 0.926 0.430 -0.275 0.00 0.00 +0.085 C ATOM 7 C LIG 1 1.972 0.112 0.803 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.936 -1.322 1.087 0.00 0.00 -0.216 N ATOM 9 C LIG 1 1.802 -1.272 1.482 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.809 -1.846 1.919 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.149 -0.189 -1.651 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.284 0.670 -2.760 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.506 0.161 -4.041 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.600 -1.211 -4.225 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.816 -1.701 -5.452 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.481 -2.082 -3.151 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.260 -1.575 -1.868 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.697 -2.493 1.336 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.194 -3.754 1.000 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.965 -4.896 1.224 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.246 -4.781 1.760 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.769 -3.522 2.054 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.003 -2.377 1.831 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 N LIG 1 -1.973 1.604 -0.769 0.00 0.00 -0.267 N ATOM 25 H LIG 1 -1.192 1.987 -1.287 0.00 0.00 +0.156 HD ATOM 26 C LIG 1 -3.133 2.245 -1.076 0.00 0.00 +0.239 C ATOM 27 O LIG 1 -3.004 3.158 -1.908 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.514 1.950 -0.458 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -4.522 2.220 1.059 0.00 0.00 +0.059 C ATOM 30 C LIG 1 -5.931 2.209 1.639 0.00 0.00 +0.162 C ATOM 31 O LIG 1 -6.753 3.159 0.973 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -6.904 2.866 -0.412 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -5.550 2.918 -1.106 0.00 0.00 +0.059 C BRANCH 28 34 ATOM 34 C LIG 1 -4.932 0.576 -0.806 0.00 0.00 +0.079 C ATOM 35 N LIG 1 -5.340 -0.470 -1.101 0.00 0.00 -0.195 NA ENDBRANCH 28 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 7 36 ATOM 36 N LIG 1 3.362 0.250 0.356 0.00 0.00 -0.299 N ATOM 37 H LIG 1 3.999 -0.472 0.682 0.00 0.00 +0.150 HD ATOM 38 C LIG 1 3.868 1.462 -0.049 0.00 0.00 +0.245 C ATOM 39 O LIG 1 3.180 2.474 -0.133 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 5.322 1.509 -0.361 0.00 0.00 +0.037 A ATOM 41 C LIG 1 5.988 2.738 -0.256 0.00 0.00 +0.025 A ATOM 42 C LIG 1 7.358 2.840 -0.549 0.00 0.00 +0.056 A ATOM 43 C LIG 1 8.053 1.687 -0.944 0.00 0.00 +0.012 A ATOM 44 C LIG 1 7.390 0.464 -1.065 0.00 0.00 +0.001 A ATOM 45 C LIG 1 6.027 0.374 -0.780 0.00 0.00 +0.013 A BRANCH 42 46 ATOM 46 C LIG 1 8.072 4.161 -0.403 0.00 0.00 +0.417 C ATOM 47 F LIG 1 8.456 4.399 0.882 0.00 0.00 -0.166 F ATOM 48 F LIG 1 7.305 5.225 -0.769 0.00 0.00 -0.166 F ATOM 49 F LIG 1 9.205 4.245 -1.154 0.00 0.00 -0.166 F ENDBRANCH 42 46 ENDBRANCH 38 40 ENDBRANCH 7 36 BRANCH 1 51 ATOM 50 C LIG 1 0.939 -4.146 2.392 0.00 0.00 +0.025 C ATOM 51 C LIG 1 0.358 -2.782 2.746 0.00 0.00 +0.112 C ENDBRANCH 1 51 TORSDOF 9