REMARK Name = BDB022054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.455 1.879 0.562 0.00 0.00 +0.078 C ATOM 2 C LIG 1 0.946 2.176 -0.861 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -0.442 2.804 -0.867 0.00 0.00 +0.109 C ATOM 4 N LIG 1 -1.413 1.964 -0.178 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -2.734 1.978 -0.625 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -3.143 2.709 -1.524 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.953 1.220 1.000 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.314 1.829 1.591 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.709 1.082 0.033 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.737 -0.310 -0.217 0.00 0.00 -0.002 A ATOM 11 C LIG 1 -4.692 -1.094 0.480 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -4.712 -2.488 0.247 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -3.833 -3.099 -0.648 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.912 -2.330 -1.340 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.599 -0.467 1.380 0.00 0.00 +0.128 A ATOM 16 C LIG 1 -5.558 0.917 1.576 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -2.866 -0.952 -1.131 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -4.619 1.691 0.902 0.00 0.00 +0.017 A BRANCH 15 19 ATOM 19 O LIG 1 -6.491 -1.301 2.015 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -7.448 -0.711 2.884 0.00 0.00 +0.277 C ENDBRANCH 15 19 ENDBRANCH 5 9 BRANCH 1 23 ATOM 21 N LIG 1 3.433 0.687 -0.172 0.00 0.00 -0.285 N ATOM 22 H LIG 1 3.630 1.590 -0.586 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 2.263 0.575 0.561 0.00 0.00 +0.220 C ATOM 24 O LIG 1 1.871 -0.425 1.152 0.00 0.00 -0.275 OA BRANCH 21 27 ATOM 25 C LIG 1 6.531 -0.873 -1.464 0.00 0.00 +0.122 A ATOM 26 C LIG 1 5.517 0.049 -1.176 0.00 0.00 +0.069 A ATOM 27 C LIG 1 4.403 -0.311 -0.406 0.00 0.00 +0.037 A ATOM 28 C LIG 1 4.315 -1.616 0.076 0.00 0.00 +0.023 A ATOM 29 C LIG 1 5.324 -2.542 -0.206 0.00 0.00 +0.005 A ATOM 30 C LIG 1 6.430 -2.173 -0.974 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 8.606 -1.276 -2.550 0.00 0.00 +0.277 C ATOM 32 O LIG 1 7.553 -0.377 -2.225 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 21 27 ENDBRANCH 1 23 TORSDOF 5