REMARK Name = BDB007905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.416 0.324 0.970 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -4.965 -0.158 -0.271 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -3.806 -0.947 -0.372 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -3.095 -1.213 0.808 0.00 0.00 +0.135 A ATOM 5 C LIG 1 -3.541 -0.762 2.051 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.697 0.010 2.130 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -6.643 1.206 1.047 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 -6.316 2.691 0.816 0.00 0.00 +0.230 C BRANCH 8 9 ATOM 9 C LIG 1 -7.612 3.461 0.552 0.00 0.00 +0.334 C ATOM 10 O LIG 1 -8.724 2.993 0.360 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -7.433 4.799 0.489 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 -8.333 5.155 0.344 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 -5.677 3.220 1.986 0.00 0.00 -0.365 OA BRANCH 13 15 ATOM 14 C LIG 1 -4.213 4.954 1.102 0.00 0.00 +0.034 C ATOM 15 C LIG 1 -4.317 3.600 1.781 0.00 0.00 +0.157 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 16 ATOM 16 C LIG 1 -3.348 -1.411 -1.739 0.00 0.00 +0.074 C BRANCH 16 17 ATOM 17 C LIG 1 -3.050 -2.888 -1.887 0.00 0.00 -0.043 A ATOM 18 C LIG 1 -1.905 -3.302 -2.585 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -1.624 -4.660 -2.749 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.492 -5.619 -2.231 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.644 -5.221 -1.556 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.927 -3.864 -1.391 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 4 23 ATOM 23 O LIG 1 -1.950 -2.016 0.806 0.00 0.00 -0.425 OA BRANCH 23 24 ATOM 24 C LIG 1 -0.781 -1.350 0.438 0.00 0.00 +0.317 C ATOM 25 O LIG 1 -0.694 -0.172 0.118 0.00 0.00 -0.250 OA BRANCH 24 26 ATOM 26 C LIG 1 0.352 -2.356 0.487 0.00 0.00 +0.156 C BRANCH 26 27 ATOM 27 C LIG 1 1.710 -1.771 0.181 0.00 0.00 -0.037 A ATOM 28 C LIG 1 2.593 -1.440 1.216 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.848 -0.888 0.936 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.239 -0.653 -0.382 0.00 0.00 +0.036 A ATOM 31 C LIG 1 3.355 -0.977 -1.418 0.00 0.00 +0.024 A ATOM 32 C LIG 1 2.102 -1.530 -1.141 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 N LIG 1 5.478 -0.099 -0.743 0.00 0.00 -0.251 N ATOM 34 H LIG 1 5.666 0.048 -1.725 0.00 0.00 +0.158 HD ATOM 35 C LIG 1 6.507 0.292 0.067 0.00 0.00 +0.405 C ATOM 36 O LIG 1 6.566 0.226 1.284 0.00 0.00 -0.226 OA BRANCH 35 37 ATOM 37 O LIG 1 7.492 0.782 -0.730 0.00 0.00 -0.444 OA BRANCH 37 38 ATOM 38 C LIG 1 8.727 1.290 -0.162 0.00 0.00 +0.107 C ATOM 39 C LIG 1 9.552 1.750 -1.373 0.00 0.00 +0.055 C ATOM 40 C LIG 1 8.470 2.501 0.741 0.00 0.00 +0.055 C ATOM 41 C LIG 1 9.501 0.186 0.564 0.00 0.00 +0.055 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 15