REMARK Name = BDB031166 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.492 0.216 1.156 0.00 0.00 +0.097 A ATOM 2 C LIG 1 -1.567 0.773 -0.112 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -0.306 1.280 -0.324 0.00 0.00 -0.340 N ATOM 4 H LIG 1 0.002 1.764 -1.157 0.00 0.00 +0.167 HD ATOM 5 C LIG 1 0.466 1.043 0.786 0.00 0.00 +0.129 A ATOM 6 N LIG 1 -0.236 0.408 1.699 0.00 0.00 -0.230 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.907 1.448 0.902 0.00 0.00 +0.144 C ATOM 8 N LIG 1 2.479 1.691 -0.425 0.00 0.00 -0.288 N ATOM 9 C LIG 1 2.919 0.760 -1.346 0.00 0.00 +0.227 C ATOM 10 O LIG 1 3.324 1.134 -2.449 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 2.631 3.117 -0.679 0.00 0.00 +0.140 C ATOM 12 C LIG 1 1.967 3.816 0.510 0.00 0.00 +0.134 C ATOM 13 C LIG 1 2.073 2.782 1.629 0.00 0.00 +0.063 C BRANCH 12 14 ATOM 14 O LIG 1 2.606 5.031 0.862 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 3.528 4.842 1.110 0.00 0.00 +0.210 HD ENDBRANCH 12 14 BRANCH 9 16 ATOM 16 C LIG 1 2.917 -0.727 -0.944 0.00 0.00 +0.146 C BRANCH 16 17 ATOM 17 C LIG 1 4.137 -0.992 -0.126 0.00 0.00 +0.153 A ATOM 18 O LIG 1 3.955 -1.765 0.984 0.00 0.00 -0.355 OA ATOM 19 N LIG 1 5.163 -1.905 1.651 0.00 0.00 -0.040 NA ATOM 20 C LIG 1 6.045 -1.220 0.921 0.00 0.00 +0.255 A ATOM 21 C LIG 1 5.460 -0.619 -0.202 0.00 0.00 +0.115 A BRANCH 20 22 ATOM 22 O LIG 1 7.347 -1.128 1.269 0.00 0.00 -0.478 OA ATOM 23 C LIG 1 7.695 -1.867 2.435 0.00 0.00 +0.279 C ENDBRANCH 20 22 ENDBRANCH 16 17 BRANCH 16 24 ATOM 24 C LIG 1 2.770 -1.671 -2.169 0.00 0.00 +0.002 C ATOM 25 C LIG 1 4.038 -1.861 -3.011 0.00 0.00 +0.008 C ATOM 26 C LIG 1 2.245 -3.046 -1.735 0.00 0.00 +0.008 C ENDBRANCH 16 24 ENDBRANCH 9 16 ENDBRANCH 5 7 BRANCH 1 29 ATOM 27 C LIG 1 -4.443 -1.998 1.980 0.00 0.00 +0.121 A ATOM 28 C LIG 1 -3.446 -1.337 1.254 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -2.540 -0.477 1.888 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -2.630 -0.308 3.275 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -3.621 -0.964 4.006 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -4.529 -1.806 3.359 0.00 0.00 +0.045 A BRANCH 27 34 ATOM 33 C LIG 1 -6.301 -3.480 1.915 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -5.257 -2.802 1.229 0.00 0.00 -0.495 OA ENDBRANCH 27 34 ENDBRANCH 1 29 BRANCH 2 35 ATOM 35 C LIG 1 -2.635 0.934 -1.091 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.856 1.513 -0.723 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -4.885 1.681 -1.655 0.00 0.00 +0.121 A ATOM 38 C LIG 1 -4.687 1.268 -2.973 0.00 0.00 +0.045 A ATOM 39 C LIG 1 -3.472 0.692 -3.352 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -2.450 0.526 -2.416 0.00 0.00 +0.010 A BRANCH 37 41 ATOM 41 O LIG 1 -6.019 2.261 -1.157 0.00 0.00 -0.495 OA ATOM 42 C LIG 1 -7.121 2.389 -2.045 0.00 0.00 +0.277 C ENDBRANCH 37 41 ENDBRANCH 2 35 TORSDOF 10