REMARK Name = BDB000268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.203 0.113 0.243 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.856 0.822 1.390 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -0.448 1.313 1.550 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.426 1.107 0.570 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -1.064 0.395 -0.577 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.234 -0.097 -0.739 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.746 1.565 0.686 0.00 0.00 -0.321 N ATOM 8 C LIG 1 -3.659 0.743 1.543 0.00 0.00 +0.125 C ATOM 9 C LIG 1 -3.533 1.137 3.044 0.00 0.00 +0.106 C ATOM 10 N LIG 1 -3.488 2.585 3.338 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -4.163 2.815 4.065 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -3.760 3.382 2.132 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -2.851 3.027 0.931 0.00 0.00 +0.120 C BRANCH 8 14 ATOM 14 C LIG 1 -3.538 -0.790 1.375 0.00 0.00 +0.252 C BRANCH 14 15 ATOM 15 O LIG 1 -3.915 -1.231 0.066 0.00 0.00 -0.490 OA BRANCH 15 16 ATOM 16 C LIG 1 -5.237 -1.406 -0.230 0.00 0.00 +0.121 A ATOM 17 C LIG 1 -6.311 -1.286 0.652 0.00 0.00 +0.054 A ATOM 18 C LIG 1 -7.634 -1.494 0.213 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -7.874 -1.830 -1.139 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -9.193 -2.037 -1.575 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -10.264 -1.915 -0.689 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -10.030 -1.585 0.642 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.788 -1.950 -2.015 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -8.724 -1.376 1.091 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -5.484 -1.740 -1.561 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 2.428 -0.416 -0.048 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 3.493 -0.266 0.893 0.00 0.00 +0.231 C BRANCH 27 28 ATOM 28 C LIG 1 4.212 1.073 0.721 0.00 0.00 +0.069 C BRANCH 28 29 ATOM 29 C LIG 1 4.847 1.214 -0.659 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 O LIG 1 5.898 0.258 -0.783 0.00 0.00 -0.375 OA BRANCH 30 31 ATOM 31 C LIG 1 6.488 0.295 -2.082 0.00 0.00 +0.198 C BRANCH 31 33 ATOM 32 C LIG 1 8.934 -0.400 -2.082 0.00 0.00 +0.125 A ATOM 33 C LIG 1 7.577 -0.742 -2.139 0.00 0.00 +0.020 A ATOM 34 C LIG 1 7.235 -2.101 -2.231 0.00 0.00 +0.009 A ATOM 35 C LIG 1 8.225 -3.084 -2.301 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.570 -2.722 -2.282 0.00 0.00 +0.004 A ATOM 37 C LIG 1 9.926 -1.379 -2.177 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 9.593 1.244 -0.631 0.00 0.00 +0.277 C ATOM 39 O LIG 1 9.314 0.915 -1.994 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12