REMARK Name = BDB009377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.835 1.020 -0.674 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.008 1.593 -1.929 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.242 2.614 -2.335 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.966 1.086 -2.802 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.759 0.003 -2.413 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.601 -0.580 -1.146 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.632 -0.059 -0.273 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.242 -1.276 2.894 0.00 0.00 -0.272 OA ATOM 9 C LIG 1 4.848 -1.329 1.726 0.00 0.00 +0.253 C ATOM 10 N LIG 1 3.699 -0.672 1.311 0.00 0.00 -0.296 N ATOM 11 C LIG 1 3.016 0.214 2.260 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.214 1.322 1.569 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.267 0.798 0.581 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.166 1.581 0.247 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.037 2.701 0.705 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.628 -0.463 -0.078 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.137 -0.748 -0.043 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.618 -2.175 0.698 0.00 0.00 +0.324 C BRANCH 18 19 ATOM 19 O LIG 1 5.926 -1.559 -0.541 0.00 0.00 -0.483 OA BRANCH 19 20 ATOM 20 C LIG 1 6.872 -0.572 -0.552 0.00 0.00 +0.121 A ATOM 21 C LIG 1 7.631 -0.139 0.536 0.00 0.00 +0.045 A ATOM 22 C LIG 1 8.561 0.894 0.378 0.00 0.00 +0.004 A ATOM 23 C LIG 1 8.739 1.496 -0.867 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.990 1.064 -1.957 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.061 0.034 -1.798 0.00 0.00 +0.045 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.467 -1.742 -0.716 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.429 -1.372 0.406 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.726 -0.689 0.062 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -6.102 -0.456 -1.255 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -5.867 -1.197 -1.910 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -7.306 0.301 -1.581 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -8.378 0.068 -0.521 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.831 0.336 0.887 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.491 -0.313 1.100 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.060 -0.588 2.489 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -6.733 -0.243 3.455 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -4.879 -1.269 2.629 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -4.563 -1.456 3.575 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.048 -1.649 1.620 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6