REMARK Name = BDB000307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.960 -1.256 -0.521 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -1.079 -0.218 -0.159 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.307 -0.423 -0.064 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.201 0.605 0.342 0.00 0.00 -0.265 N ATOM 5 C LIG 1 2.579 0.398 0.306 0.00 0.00 +0.268 C ATOM 6 C LIG 1 3.049 -0.953 -0.305 0.00 0.00 +0.208 C ATOM 7 O LIG 1 2.122 -2.039 -0.303 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 3.368 -0.669 -1.788 0.00 0.00 +0.071 C ATOM 9 O LIG 1 3.385 1.262 0.665 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.803 -1.696 -0.359 0.00 0.00 +0.144 A ATOM 11 C LIG 1 -0.058 -2.740 -0.708 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -1.431 -2.522 -0.793 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 4.255 -1.476 0.495 0.00 0.00 +0.010 A ATOM 14 C LIG 1 4.041 -2.031 1.774 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.108 -2.502 2.538 0.00 0.00 +0.127 A ATOM 16 F LIG 1 4.869 -3.028 3.746 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.409 -2.436 2.068 0.00 0.00 +0.076 A ATOM 18 C LIG 1 6.632 -1.885 0.816 0.00 0.00 +0.127 A ATOM 19 F LIG 1 7.884 -1.808 0.345 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.580 -1.406 0.033 0.00 0.00 +0.046 A ENDBRANCH 6 13 BRANCH 1 22 ATOM 21 C LIG 1 -4.279 -1.179 0.457 0.00 0.00 +0.056 A ATOM 22 C LIG 1 -3.404 -1.009 -0.616 0.00 0.00 +0.043 A ATOM 23 C LIG 1 -4.007 -0.580 -1.802 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -5.319 -0.329 -1.907 0.00 0.00 -0.199 NA ATOM 25 C LIG 1 -6.063 -0.497 -0.817 0.00 0.00 +0.214 A ATOM 26 N LIG 1 -5.604 -0.929 0.358 0.00 0.00 -0.219 NA BRANCH 23 27 ATOM 27 N LIG 1 -3.252 -0.377 -2.972 0.00 0.00 -0.343 N ATOM 28 H LIG 1 -2.771 -1.236 -3.222 0.00 0.00 +0.144 HD ATOM 29 H LIG 1 -2.543 0.330 -2.802 0.00 0.00 +0.144 HD ENDBRANCH 23 27 BRANCH 25 30 ATOM 30 N LIG 1 -7.415 -0.250 -0.921 0.00 0.00 -0.327 N ATOM 31 H LIG 1 -7.918 -0.801 -0.241 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 -7.696 -0.331 -1.889 0.00 0.00 +0.145 HD ENDBRANCH 25 30 BRANCH 21 34 ATOM 33 C LIG 1 -3.541 -0.444 2.740 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -3.822 -1.626 1.825 0.00 0.00 +0.053 C ENDBRANCH 21 34 ENDBRANCH 1 22 BRANCH 4 35 ATOM 35 C LIG 1 0.719 1.912 0.788 0.00 0.00 +0.114 C BRANCH 35 36 ATOM 36 C LIG 1 0.555 2.887 -0.380 0.00 0.00 +0.022 C BRANCH 36 37 ATOM 37 C LIG 1 0.111 4.268 0.108 0.00 0.00 +0.029 C BRANCH 37 38 ATOM 38 C LIG 1 -0.121 5.238 -1.046 0.00 0.00 +0.156 C BRANCH 38 39 ATOM 39 O LIG 1 1.066 5.412 -1.805 0.00 0.00 -0.395 OA ATOM 40 H LIG 1 1.745 5.777 -1.211 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 10