REMARK Name = BDB027430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.982 1.547 1.163 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.207 0.875 1.294 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.404 1.595 1.118 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.369 2.956 0.813 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.193 3.611 0.664 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.050 2.906 0.847 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.591 3.767 0.616 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.591 4.860 -0.275 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.739 5.628 -0.488 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -6.903 5.316 0.195 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -8.004 6.049 -0.007 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -6.940 4.258 1.091 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -5.791 3.490 1.302 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 2.325 -0.109 0.328 0.00 0.00 +0.076 C ATOM 15 C LIG 1 0.898 0.483 0.081 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.222 0.860 1.348 0.00 0.00 -0.326 N ATOM 17 C LIG 1 1.104 1.390 2.410 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.392 1.987 1.846 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.186 1.024 0.949 0.00 0.00 +0.031 C BRANCH 14 22 ATOM 20 C LIG 1 4.839 -1.763 -1.835 0.00 0.00 +0.059 A ATOM 21 N LIG 1 4.213 -1.270 -0.738 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 3.018 -0.634 -0.935 0.00 0.00 +0.081 A ATOM 23 C LIG 1 2.487 -0.524 -2.219 0.00 0.00 +0.136 A ATOM 24 N LIG 1 3.098 -1.021 -3.321 0.00 0.00 -0.260 NA ATOM 25 C LIG 1 4.276 -1.643 -3.100 0.00 0.00 +0.134 A BRANCH 20 27 ATOM 26 C LIG 1 5.973 -3.942 -1.355 0.00 0.00 +0.010 C ATOM 27 C LIG 1 6.154 -2.458 -1.630 0.00 0.00 +0.053 C ENDBRANCH 20 27 ENDBRANCH 14 22 BRANCH 14 28 ATOM 28 N LIG 1 2.269 -1.210 1.336 0.00 0.00 -0.319 NA ATOM 29 H LIG 1 3.166 -1.702 1.282 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 1.561 -1.887 1.048 0.00 0.00 +0.119 HD ENDBRANCH 14 28 ENDBRANCH 1 16 BRANCH 2 31 ATOM 31 C LIG 1 -2.274 -0.601 1.615 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -2.036 -1.450 0.458 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -1.335 -2.628 0.471 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -1.329 -3.056 -0.846 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -0.637 -4.248 -1.121 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -0.026 -4.890 -0.100 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -0.134 -4.368 1.141 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -2.012 -2.170 -1.653 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -0.760 -3.237 1.520 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -2.446 -1.235 -0.832 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -0.525 -4.786 -2.396 0.00 0.00 -0.341 N ATOM 42 H LIG 1 0.283 -5.387 -2.485 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -0.701 -4.113 -3.136 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8