REMARK Name = BDB059511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.698 1.728 -0.331 0.00 0.00 +0.247 C ATOM 2 N LIG 1 5.024 2.442 0.660 0.00 0.00 -0.293 N ATOM 3 C LIG 1 4.608 1.854 1.936 0.00 0.00 +0.143 C ATOM 4 C LIG 1 3.101 1.684 2.026 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.232 2.313 1.106 0.00 0.00 -0.040 A ATOM 6 C LIG 1 0.846 2.131 1.222 0.00 0.00 +0.017 A ATOM 7 C LIG 1 0.320 1.353 2.261 0.00 0.00 +0.037 A ATOM 8 C LIG 1 1.178 0.770 3.200 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.784 3.138 -0.036 0.00 0.00 +0.054 C ATOM 10 C LIG 1 2.560 0.928 3.079 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.219 3.583 0.242 0.00 0.00 +0.113 C ATOM 12 O LIG 1 5.612 1.988 -1.530 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 8.302 -1.502 0.727 0.00 0.00 +0.120 A ATOM 14 C LIG 1 8.405 -0.273 1.390 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.556 0.787 1.062 0.00 0.00 +0.016 A ATOM 16 C LIG 1 6.588 0.612 0.068 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.490 -0.607 -0.611 0.00 0.00 +0.016 A ATOM 18 C LIG 1 7.341 -1.666 -0.274 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 9.169 -3.702 0.464 0.00 0.00 +0.277 C ATOM 20 O LIG 1 9.196 -2.451 1.143 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 21 ATOM 21 C LIG 1 -1.144 1.140 2.409 0.00 0.00 +0.244 C ATOM 22 N LIG 1 -1.844 0.993 1.229 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -1.330 0.910 0.363 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -1.641 1.075 3.529 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.263 0.657 1.204 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 -3.561 -0.490 0.218 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 -2.834 -1.664 0.615 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -3.024 -2.363 -0.036 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.071 -0.820 0.168 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -5.920 0.264 -0.359 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.792 0.444 -1.819 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.467 -0.626 -2.652 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -7.540 -1.372 -2.131 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -8.171 -2.333 -2.931 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.754 -2.542 -4.245 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.704 -1.791 -4.771 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.968 -1.188 -0.695 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -6.067 -0.833 -3.981 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.343 0.052 -0.036 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 7 21 TORSDOF 8