REMARK Name = BDB011781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.304 1.652 0.667 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.847 1.599 -0.313 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.585 2.587 -0.423 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.062 0.419 -1.026 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.210 -0.766 -1.014 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.570 -1.270 0.072 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.124 -2.569 -0.060 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.084 -3.296 -1.247 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.470 -2.743 -2.346 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.798 -0.609 1.333 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.841 -0.896 2.238 0.00 0.00 +0.251 C ATOM 12 O LIG 1 1.740 -0.716 3.452 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.166 -1.508 -2.221 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.011 0.556 1.677 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.182 -1.296 1.732 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.904 -2.268 2.433 0.00 0.00 +0.014 A ATOM 17 C LIG 1 5.174 -2.648 1.991 0.00 0.00 +0.012 A ATOM 18 C LIG 1 5.743 -2.044 0.861 0.00 0.00 +0.017 A ATOM 19 C LIG 1 5.031 -1.049 0.179 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.756 -0.671 0.618 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 7.102 -2.486 0.427 0.00 0.00 +0.160 C ATOM 22 O LIG 1 7.620 -3.470 0.951 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 7.809 -1.716 -0.657 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 1.343 3.878 0.931 0.00 0.00 +0.230 C ATOM 25 N LIG 1 0.354 2.982 1.283 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.552 3.370 1.520 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 2.340 3.528 0.296 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 1.173 5.324 1.481 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -0.247 5.875 1.358 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 1.897 6.593 -0.509 0.00 0.00 +0.101 C ATOM 31 N LIG 1 2.188 6.222 0.872 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 3.071 5.701 0.870 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -2.266 0.432 -1.909 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 -3.236 -0.738 -1.719 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -3.894 -0.964 -0.467 0.00 0.00 -0.010 A ATOM 36 C LIG 1 -4.696 -2.123 -0.312 0.00 0.00 -0.017 A ATOM 37 C LIG 1 -5.328 -2.403 0.912 0.00 0.00 +0.023 A ATOM 38 C LIG 1 -5.209 -1.532 1.998 0.00 0.00 +0.059 A ATOM 39 C LIG 1 -4.463 -0.366 1.854 0.00 0.00 +0.015 A ATOM 40 C LIG 1 -4.874 -2.995 -1.389 0.00 0.00 +0.012 A ATOM 41 C LIG 1 -4.302 -2.727 -2.631 0.00 0.00 +0.046 A ATOM 42 C LIG 1 -3.824 -0.088 0.641 0.00 0.00 +0.010 A ATOM 43 C LIG 1 -3.501 -1.600 -2.811 0.00 0.00 +0.125 A BRANCH 38 44 ATOM 44 C LIG 1 -5.868 -1.792 3.299 0.00 0.00 +0.337 C ATOM 45 O LIG 1 -5.832 -1.063 4.273 0.00 0.00 -0.245 OA BRANCH 44 46 ATOM 46 O LIG 1 -6.543 -2.955 3.321 0.00 0.00 -0.477 OA ATOM 47 H LIG 1 -6.913 -2.992 4.229 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 38 44 BRANCH 43 48 ATOM 48 O LIG 1 -2.933 -1.258 -4.012 0.00 0.00 -0.495 OA ATOM 49 C LIG 1 -3.269 -2.039 -5.153 0.00 0.00 +0.277 C ENDBRANCH 43 48 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10