REMARK Name = BDB019705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.789 -0.180 1.476 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -1.691 -0.838 0.599 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -2.178 -0.141 -0.528 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -1.786 1.173 -0.814 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.877 1.804 0.041 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.342 1.123 1.143 0.00 0.00 +0.059 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -2.199 -2.205 0.855 0.00 0.00 -0.013 A ATOM 8 C LIG 1 -1.884 -3.304 0.018 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.991 -3.164 -1.185 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -2.443 -4.565 0.292 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -3.276 -4.740 1.391 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.791 -5.951 1.641 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -3.579 -3.682 2.232 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.045 -2.422 1.963 0.00 0.00 +0.011 A ENDBRANCH 2 7 BRANCH 6 15 ATOM 15 C LIG 1 0.619 1.834 2.021 0.00 0.00 +0.248 C ATOM 16 N LIG 1 1.771 2.422 1.484 0.00 0.00 -0.296 N ATOM 17 C LIG 1 2.643 3.101 2.431 0.00 0.00 +0.132 C ATOM 18 O LIG 1 0.357 1.868 3.225 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 2.343 2.099 0.171 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 3.035 0.760 0.104 0.00 0.00 -0.023 A ATOM 21 C LIG 1 2.493 -0.285 -0.657 0.00 0.00 +0.051 A ATOM 22 C LIG 1 3.135 -1.525 -0.747 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.337 -1.732 -0.067 0.00 0.00 +0.091 A ATOM 24 C LIG 1 4.894 -0.703 0.696 0.00 0.00 +0.124 A ATOM 25 C LIG 1 4.247 0.535 0.769 0.00 0.00 +0.051 A BRANCH 22 26 ATOM 26 O LIG 1 2.489 -2.441 -1.533 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 3.059 -3.740 -1.618 0.00 0.00 +0.277 C ENDBRANCH 22 26 BRANCH 24 28 ATOM 28 O LIG 1 6.063 -0.769 1.406 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.740 -2.019 1.425 0.00 0.00 +0.277 C ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 6 15 BRANCH 1 31 ATOM 30 C LIG 1 0.858 -1.672 2.389 0.00 0.00 +0.125 C ATOM 31 N LIG 1 -0.318 -0.848 2.645 0.00 0.00 -0.346 N ATOM 32 H LIG 1 -0.081 -0.130 3.344 0.00 0.00 +0.146 HD ENDBRANCH 1 31 BRANCH 4 33 ATOM 33 C LIG 1 -2.368 1.917 -1.992 0.00 0.00 +0.139 C BRANCH 33 34 ATOM 34 N LIG 1 -3.351 2.867 -1.512 0.00 0.00 -0.313 N ATOM 35 H LIG 1 -3.995 2.464 -0.843 0.00 0.00 +0.149 HD BRANCH 34 36 ATOM 36 C LIG 1 -3.958 3.702 -2.383 0.00 0.00 +0.176 C ATOM 37 N LIG 1 -5.014 4.372 -1.854 0.00 0.00 -0.316 N ATOM 38 H LIG 1 -4.850 4.698 -0.908 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -5.367 5.410 -2.801 0.00 0.00 +0.127 C ATOM 40 C LIG 1 -4.647 4.931 -4.065 0.00 0.00 +0.163 C ATOM 41 N LIG 1 -3.628 3.941 -3.616 0.00 0.00 -0.255 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10