REMARK Name = BDB037357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.395 2.551 -0.305 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.560 1.521 -0.212 0.00 0.00 +0.137 A ATOM 3 C LIG 1 -0.651 0.453 -1.093 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.392 -0.535 -0.390 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.792 -0.055 0.789 0.00 0.00 -0.149 NA ATOM 6 C LIG 1 0.111 0.557 -2.375 0.00 0.00 +0.085 C ATOM 7 C LIG 1 1.530 1.038 -2.020 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.548 1.275 0.734 0.00 0.00 -0.216 N ATOM 9 C LIG 1 1.435 2.396 -1.266 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.330 3.235 -1.395 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.091 -0.677 -3.229 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.325 -0.844 -3.897 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.566 -1.959 -4.702 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.573 -2.913 -4.861 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.798 -3.981 -5.637 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.655 -2.769 -4.231 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.898 -1.654 -3.423 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.352 2.153 1.504 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.637 3.445 1.051 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.457 4.285 1.806 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.013 3.832 3.002 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.764 2.531 3.438 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -2.946 1.687 2.686 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 N LIG 1 -1.589 -1.842 -0.782 0.00 0.00 -0.265 N ATOM 25 H LIG 1 -1.044 -2.181 -1.561 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 -2.291 -2.836 -0.170 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -2.092 -4.009 -0.491 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.309 -2.535 0.850 0.00 0.00 +0.011 C ATOM 29 C LIG 1 -3.317 -3.231 2.167 0.00 0.00 +0.040 C ATOM 30 C LIG 1 -4.361 -2.429 2.947 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.236 -1.734 1.903 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -4.373 -1.737 0.687 0.00 0.00 -0.018 C ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 7 33 ATOM 33 N LIG 1 2.277 0.130 -1.129 0.00 0.00 -0.299 N ATOM 34 H LIG 1 1.909 0.014 -0.192 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.623 -0.100 -1.317 0.00 0.00 +0.245 C ATOM 36 O LIG 1 4.237 0.257 -2.313 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.327 -0.824 -0.223 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.696 -0.587 -0.043 0.00 0.00 +0.025 A ATOM 39 C LIG 1 6.409 -1.243 0.973 0.00 0.00 +0.056 A ATOM 40 C LIG 1 5.732 -2.159 1.792 0.00 0.00 +0.012 A ATOM 41 C LIG 1 4.371 -2.409 1.606 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.667 -1.746 0.600 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.888 -0.996 1.150 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.646 -1.779 0.336 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.321 -1.244 2.418 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.249 0.289 0.882 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 0.383 5.014 0.141 0.00 0.00 +0.025 C ATOM 48 C LIG 1 0.608 3.609 0.688 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8