REMARK Name = BDB050738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.329 0.870 -2.710 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.762 -0.117 -3.586 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.913 -0.690 -4.453 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -3.091 -0.515 -3.562 0.00 0.00 +0.159 A ATOM 5 F LIG 1 -3.519 -1.474 -4.393 0.00 0.00 -0.202 F ATOM 6 C LIG 1 -3.996 0.072 -2.679 0.00 0.00 +0.045 A ATOM 7 C LIG 1 -3.576 1.083 -1.799 0.00 0.00 -0.038 A ATOM 8 C LIG 1 -2.234 1.491 -1.836 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 0.245 2.518 -3.042 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.064 1.343 -2.736 0.00 0.00 +0.250 C ATOM 11 N LIG 1 1.082 0.475 -2.358 0.00 0.00 -0.294 N ATOM 12 C LIG 1 2.466 0.956 -2.377 0.00 0.00 +0.127 C ATOM 13 C LIG 1 3.170 0.688 -1.039 0.00 0.00 +0.128 C ATOM 14 N LIG 1 3.094 -0.721 -0.617 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.165 -1.363 -0.014 0.00 0.00 +0.305 C ATOM 16 N LIG 1 4.957 -0.616 0.837 0.00 0.00 -0.281 N ATOM 17 C LIG 1 4.427 0.434 1.715 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.999 0.318 3.133 0.00 0.00 +0.179 C ATOM 19 O LIG 1 6.430 0.396 3.171 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 7.074 -0.193 2.030 0.00 0.00 +0.179 C ATOM 21 C LIG 1 6.209 -1.219 1.297 0.00 0.00 +0.137 C ATOM 22 O LIG 1 4.405 -2.551 -0.232 0.00 0.00 -0.252 OA ATOM 23 C LIG 1 2.172 -1.565 -1.383 0.00 0.00 +0.128 C ATOM 24 C LIG 1 0.867 -0.842 -1.739 0.00 0.00 +0.127 C ENDBRANCH 1 10 BRANCH 7 25 ATOM 25 C LIG 1 -4.560 1.748 -0.863 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -5.264 0.760 0.059 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.588 0.273 1.289 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -5.278 -0.656 2.067 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -4.708 -1.171 3.238 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -3.440 -0.752 3.633 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -2.745 0.179 2.863 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.620 -1.090 1.647 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -7.263 -1.903 2.302 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -7.101 -0.532 0.489 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -8.026 -0.820 0.185 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -3.315 0.693 1.693 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -6.451 0.365 -0.299 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 3