REMARK Name = BDB011832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.279 1.181 -1.936 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.160 0.833 -0.492 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.018 1.632 0.441 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.862 -0.375 -0.325 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.149 -1.649 -0.480 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.199 -1.742 -0.929 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.893 -2.966 -0.886 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.268 -4.122 -0.435 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.061 -4.067 -0.050 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.848 -0.652 -1.561 0.00 0.00 -0.263 N ATOM 11 C LIG 1 3.109 -0.142 -1.243 0.00 0.00 +0.251 C ATOM 12 O LIG 1 3.625 0.786 -1.865 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.755 -2.852 -0.084 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.041 0.034 -2.564 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.830 -0.637 -0.050 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.136 -1.111 -0.200 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.840 -1.563 0.918 0.00 0.00 +0.012 A ATOM 18 C LIG 1 5.255 -1.521 2.194 0.00 0.00 +0.017 A ATOM 19 C LIG 1 3.956 -1.016 2.340 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.247 -0.566 1.221 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 6.051 -2.018 3.356 0.00 0.00 +0.160 C ATOM 22 O LIG 1 7.146 -2.542 3.165 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 5.486 -1.873 4.745 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 0.507 3.643 -1.899 0.00 0.00 +0.230 C ATOM 25 N LIG 1 1.094 2.398 -1.923 0.00 0.00 -0.301 N ATOM 26 H LIG 1 2.067 2.295 -1.648 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -0.700 3.791 -2.100 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 1.478 4.840 -1.703 0.00 0.00 +0.137 C ATOM 29 C LIG 1 2.515 4.619 -0.603 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 0.094 6.225 -0.200 0.00 0.00 +0.101 C ATOM 31 N LIG 1 0.708 6.099 -1.518 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -0.049 6.079 -2.209 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -1.967 -0.294 0.666 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 -3.363 -0.573 0.093 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -3.935 0.257 -0.921 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -5.173 -0.118 -1.510 0.00 0.00 +0.092 A ATOM 37 C LIG 1 -5.731 0.656 -2.554 0.00 0.00 +0.030 A ATOM 38 C LIG 1 -5.111 1.816 -3.004 0.00 0.00 +0.002 A ATOM 39 C LIG 1 -3.935 2.231 -2.401 0.00 0.00 +0.001 A ATOM 40 N LIG 1 -5.858 -1.250 -1.038 0.00 0.00 -0.136 N ATOM 41 O LIG 1 -6.971 -1.631 -1.540 0.00 0.00 -0.164 OA ATOM 42 C LIG 1 -5.340 -1.968 0.022 0.00 0.00 +0.179 A ATOM 43 C LIG 1 -3.368 1.471 -1.372 0.00 0.00 +0.010 A ATOM 44 C LIG 1 -4.122 -1.645 0.605 0.00 0.00 +0.146 A BRANCH 44 45 ATOM 45 O LIG 1 -3.595 -2.318 1.676 0.00 0.00 -0.481 OA BRANCH 45 46 ATOM 46 C LIG 1 -4.358 -3.389 2.255 0.00 0.00 +0.342 C BRANCH 46 47 ATOM 47 C LIG 1 -3.572 -4.041 3.384 0.00 0.00 +0.424 C ATOM 48 F LIG 1 -3.283 -3.159 4.365 0.00 0.00 -0.167 F ATOM 49 F LIG 1 -2.410 -4.563 2.932 0.00 0.00 -0.167 F ATOM 50 F LIG 1 -4.284 -5.050 3.936 0.00 0.00 -0.167 F ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10