REMARK Name = BDB027827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.889 -0.001 0.279 0.00 0.00 +0.076 A ATOM 2 N LIG 1 2.183 -0.966 1.185 0.00 0.00 -0.245 NA ATOM 3 C LIG 1 1.175 -1.618 1.801 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -0.179 -1.356 1.542 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -1.164 -2.081 2.245 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -0.775 -3.040 3.163 0.00 0.00 +0.111 A ATOM 7 N LIG 1 0.511 -3.325 3.430 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -0.484 -0.359 0.586 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.436 -2.603 2.744 0.00 0.00 +0.139 A ATOM 10 C LIG 1 0.573 0.310 -0.045 0.00 0.00 +0.052 A ENDROOT BRANCH 1 13 ATOM 11 F LIG 1 1.948 2.748 -0.665 0.00 0.00 -0.203 F ATOM 12 C LIG 1 3.040 1.978 -0.790 0.00 0.00 +0.151 A ATOM 13 C LIG 1 3.057 0.653 -0.341 0.00 0.00 +0.039 A ATOM 14 C LIG 1 4.268 -0.045 -0.497 0.00 0.00 +0.032 A ATOM 15 C LIG 1 5.359 0.583 -1.083 0.00 0.00 +0.111 A ATOM 16 N LIG 1 5.340 1.856 -1.527 0.00 0.00 -0.260 NA ATOM 17 C LIG 1 4.178 2.526 -1.363 0.00 0.00 +0.149 A ENDBRANCH 1 13 BRANCH 8 18 ATOM 18 N LIG 1 -1.830 -0.079 0.257 0.00 0.00 -0.329 N ATOM 19 C LIG 1 -2.229 1.341 0.313 0.00 0.00 +0.105 C ATOM 20 C LIG 1 -2.612 1.879 -1.062 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -3.737 1.062 -1.698 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -3.690 -0.417 -1.308 0.00 0.00 +0.019 C ATOM 23 C LIG 1 -2.280 -0.849 -0.918 0.00 0.00 +0.105 C ENDBRANCH 8 18 TORSDOF 2