REMARK Name = BDB007964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.639 0.943 -0.140 0.00 0.00 +0.230 C ATOM 2 N LIG 1 -1.840 1.653 -0.021 0.00 0.00 -0.289 N ATOM 3 O LIG 1 0.347 1.472 -0.660 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -0.615 -0.511 0.387 0.00 0.00 +0.180 C BRANCH 4 8 ATOM 5 C LIG 1 3.592 -1.259 -0.372 0.00 0.00 +0.063 C ATOM 6 C LIG 1 2.517 -2.203 -0.937 0.00 0.00 +0.027 C ATOM 7 C LIG 1 1.150 -1.526 -0.999 0.00 0.00 +0.085 C ATOM 8 N LIG 1 0.703 -1.167 0.342 0.00 0.00 -0.294 NA ATOM 9 C LIG 1 1.716 -0.573 1.212 0.00 0.00 +0.085 C ATOM 10 C LIG 1 2.993 -0.139 0.488 0.00 0.00 +0.027 C BRANCH 5 12 ATOM 11 O LIG 1 4.336 -2.968 1.169 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 4.637 -2.027 0.437 0.00 0.00 +0.166 C BRANCH 12 13 ATOM 13 C LIG 1 6.075 -1.614 0.367 0.00 0.00 +0.018 A ATOM 14 C LIG 1 6.483 -0.365 -0.121 0.00 0.00 +0.014 A ATOM 15 C LIG 1 7.842 -0.036 -0.158 0.00 0.00 +0.039 A ATOM 16 C LIG 1 8.786 -0.950 0.296 0.00 0.00 +0.123 A ATOM 17 F LIG 1 10.085 -0.629 0.259 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.400 -2.189 0.791 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.044 -2.520 0.829 0.00 0.00 +0.014 A ENDBRANCH 12 13 ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 20 ATOM 20 C LIG 1 -1.854 3.055 -0.442 0.00 0.00 +0.146 C BRANCH 20 21 ATOM 21 C LIG 1 -1.617 4.007 0.704 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.679 4.736 1.252 0.00 0.00 +0.131 A ATOM 23 F LIG 1 -3.915 4.582 0.756 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -2.488 5.615 2.311 0.00 0.00 +0.077 A ATOM 25 C LIG 1 -1.212 5.769 2.832 0.00 0.00 +0.126 A ATOM 26 F LIG 1 -1.014 6.612 3.853 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -0.134 5.059 2.312 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -0.335 4.178 1.248 0.00 0.00 +0.011 A ENDBRANCH 20 21 ENDBRANCH 2 20 BRANCH 2 29 ATOM 29 C LIG 1 -3.023 1.146 0.686 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 C LIG 1 -3.818 0.180 -0.184 0.00 0.00 +0.127 A ATOM 31 N LIG 1 -4.350 0.689 -1.336 0.00 0.00 -0.309 N ATOM 32 H LIG 1 -4.193 1.646 -1.612 0.00 0.00 +0.170 HD ATOM 33 C LIG 1 -5.050 -0.079 -2.219 0.00 0.00 +0.257 A ATOM 34 O LIG 1 -5.472 0.365 -3.280 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -5.246 -1.479 -1.810 0.00 0.00 +0.064 A ATOM 36 C LIG 1 -6.042 -2.374 -2.701 0.00 0.00 +0.202 C ATOM 37 O LIG 1 -6.398 -3.606 -2.051 0.00 0.00 -0.375 OA ATOM 38 C LIG 1 -5.283 -4.194 -1.377 0.00 0.00 +0.166 C ATOM 39 C LIG 1 -4.848 -3.305 -0.212 0.00 0.00 +0.084 C ATOM 40 C LIG 1 -4.695 -1.871 -0.651 0.00 0.00 +0.056 A ATOM 41 N LIG 1 -3.966 -1.054 0.180 0.00 0.00 -0.237 NA ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8