REMARK Name = BDB060947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.655 -1.794 0.268 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.360 -0.952 -0.820 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -0.156 -1.160 -1.519 0.00 0.00 +0.009 A ATOM 4 C LIG 1 0.756 -2.168 -1.148 0.00 0.00 -0.029 A ATOM 5 C LIG 1 0.437 -2.987 -0.051 0.00 0.00 +0.021 A ATOM 6 C LIG 1 -0.760 -2.800 0.652 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.739 -2.874 1.300 0.00 0.00 +0.091 C ATOM 8 C LIG 1 -2.910 -1.642 1.047 0.00 0.00 +0.160 C ATOM 9 O LIG 1 -3.222 -0.539 1.486 0.00 0.00 -0.292 OA ENDBRANCH 1 8 BRANCH 5 10 ATOM 10 C LIG 1 1.317 -4.103 0.375 0.00 0.00 +0.160 C ATOM 11 O LIG 1 1.654 -4.951 -0.447 0.00 0.00 -0.292 OA ATOM 12 C LIG 1 1.727 -4.173 1.822 0.00 0.00 +0.091 C ENDBRANCH 5 10 BRANCH 2 13 ATOM 13 C LIG 1 -2.314 0.118 -1.316 0.00 0.00 +0.120 C BRANCH 13 14 ATOM 14 C LIG 1 -3.502 -0.450 -2.061 0.00 0.00 +0.222 C ATOM 15 O LIG 1 -3.989 -1.561 -1.877 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -4.058 0.434 -3.163 0.00 0.00 +0.284 C ATOM 17 N LIG 1 -4.764 1.580 -2.859 0.00 0.00 -0.279 N ATOM 18 H LIG 1 -4.739 2.231 -3.636 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.771 0.156 -4.323 0.00 0.00 -0.267 OA BRANCH 17 20 ATOM 20 C LIG 1 -5.046 2.107 -1.588 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -5.685 1.391 -0.556 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -6.340 0.051 -0.783 0.00 0.00 +0.046 C ATOM 23 C LIG 1 -5.812 2.001 0.717 0.00 0.00 -0.046 A ATOM 24 C LIG 1 -6.436 1.276 1.882 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -5.395 3.329 0.901 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.855 4.055 -0.154 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -4.689 3.448 -1.395 0.00 0.00 +0.023 A ENDBRANCH 17 20 ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 4 28 ATOM 28 C LIG 1 2.043 -2.296 -1.933 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 2.946 -1.099 -1.776 0.00 0.00 +0.222 C ATOM 30 O LIG 1 3.103 -0.236 -2.637 0.00 0.00 -0.287 OA BRANCH 29 31 ATOM 31 C LIG 1 3.702 -0.962 -0.451 0.00 0.00 +0.284 C ATOM 32 N LIG 1 4.592 0.091 -0.486 0.00 0.00 -0.279 N ATOM 33 H LIG 1 4.584 0.601 -1.366 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 3.465 -1.744 0.455 0.00 0.00 -0.267 OA BRANCH 32 35 ATOM 35 C LIG 1 5.478 0.530 0.522 0.00 0.00 +0.037 A ATOM 36 C LIG 1 6.317 1.646 0.264 0.00 0.00 -0.026 A ATOM 37 C LIG 1 6.258 2.346 -1.074 0.00 0.00 +0.046 C ATOM 38 C LIG 1 7.212 2.091 1.269 0.00 0.00 -0.046 A ATOM 39 C LIG 1 8.131 3.267 1.068 0.00 0.00 +0.044 C ATOM 40 C LIG 1 7.255 1.424 2.502 0.00 0.00 +0.004 A ATOM 41 C LIG 1 6.431 0.333 2.747 0.00 0.00 +0.002 A ATOM 42 C LIG 1 5.549 -0.111 1.764 0.00 0.00 +0.023 A ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10