REMARK Name = BDB035807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.426 -0.878 -1.119 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.276 0.276 -0.754 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.111 1.341 -0.307 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.700 0.000 -0.977 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.784 0.835 -0.777 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.063 0.333 -1.058 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.202 -0.996 -1.529 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.086 -1.833 -1.728 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.832 -1.303 -1.442 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.481 -1.936 -1.546 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.102 -0.172 -0.742 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.705 0.002 -0.791 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.836 -1.057 -1.088 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.404 -2.310 -1.360 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.788 -2.502 -1.313 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.632 -1.442 -1.002 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.002 1.013 -0.404 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -4.062 0.990 2.567 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.400 0.742 2.100 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.852 0.737 0.805 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.141 0.452 0.816 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.532 0.274 2.121 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.477 0.451 2.879 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.863 1.359 -1.622 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.127 2.018 -2.798 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -5.657 3.320 -2.450 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.601 2.705 -1.538 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 3.235 -3.246 -2.224 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.726 -4.152 -1.345 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.523 -3.618 -2.447 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.571 -3.453 -3.394 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.285 1.198 -0.844 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.622 1.389 0.564 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 4.814 1.741 1.071 0.00 0.00 +0.122 HD BRANCH 33 35 ATOM 35 C LIG 1 6.156 0.180 1.207 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 C LIG 1 6.685 0.408 2.646 0.00 0.00 +0.118 C ATOM 37 F LIG 1 7.734 1.283 2.595 0.00 0.00 -0.241 F ATOM 38 C LIG 1 7.226 -0.901 3.217 0.00 0.00 +0.048 C ATOM 39 C LIG 1 5.635 0.999 3.582 0.00 0.00 +0.048 C ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9