REMARK Name = BDB037451 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.556 1.336 0.399 0.00 0.00 +0.084 A ATOM 2 C LIG 1 -1.267 1.048 -0.103 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.538 -0.240 -0.223 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.367 -0.196 -1.467 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.971 1.178 -1.876 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.334 2.363 -1.450 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.893 1.200 -2.703 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.789 2.239 -0.613 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.673 3.207 -0.127 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.862 2.628 0.213 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.051 -0.512 1.153 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.201 -1.760 1.758 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.305 -2.058 3.023 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.072 -1.116 3.695 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.557 -1.405 4.908 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.348 0.116 3.122 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.843 0.416 1.855 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -1.480 4.579 0.180 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.223 5.051 0.575 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.056 6.398 0.904 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.144 7.269 0.859 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.407 6.794 0.508 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.580 5.447 0.182 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 1.310 -1.312 -1.629 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.347 -1.721 -2.554 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.495 -1.351 -0.922 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.825 -0.504 -0.101 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.427 -2.468 -1.250 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.785 -2.318 -0.932 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.706 -3.340 -1.209 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.243 -4.528 -1.798 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.889 -4.690 -2.103 0.00 0.00 +0.001 A ATOM 33 C LIG 1 2.982 -3.664 -1.828 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.161 -3.162 -0.848 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.666 -1.969 -1.265 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.972 -4.116 -1.388 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.371 -3.215 0.497 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 0.713 3.582 -2.174 0.00 0.00 +0.112 C ATOM 39 C LIG 1 2.109 4.092 -1.833 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -3.563 0.389 0.976 0.00 0.00 +0.163 C BRANCH 40 41 ATOM 41 N LIG 1 -4.308 -0.192 -0.157 0.00 0.00 -0.184 NA ATOM 42 H LIG 1 -4.834 0.530 -0.656 0.00 0.00 +0.148 HD BRANCH 41 43 ATOM 43 S LIG 1 -5.341 -1.465 0.233 0.00 0.00 +0.054 S ATOM 44 O LIG 1 -5.988 -1.099 1.475 0.00 0.00 -0.153 OA ATOM 45 O LIG 1 -6.129 -1.682 -0.962 0.00 0.00 -0.153 OA BRANCH 43 48 ATOM 46 C LIG 1 -3.239 -4.466 2.152 0.00 0.00 +0.037 C ATOM 47 C LIG 1 -4.061 -3.293 1.723 0.00 0.00 -0.007 C ATOM 48 C LIG 1 -4.275 -2.852 0.465 0.00 0.00 +0.075 C ATOM 49 C LIG 1 -3.705 -3.426 -0.794 0.00 0.00 +0.066 C ENDBRANCH 43 48 ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 10