REMARK Name = BDB022165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.107 0.553 -0.234 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -0.611 -0.203 0.913 0.00 0.00 +0.171 C ATOM 3 C LIG 1 0.244 -1.250 1.673 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -0.200 -1.817 2.678 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 1.443 -1.675 1.163 0.00 0.00 -0.268 N ATOM 6 H LIG 1 1.873 -2.463 1.629 0.00 0.00 +0.156 HD ATOM 7 C LIG 1 1.922 -1.173 -0.022 0.00 0.00 +0.133 A ATOM 8 N LIG 1 3.040 -1.560 -0.749 0.00 0.00 -0.218 N ATOM 9 N LIG 1 3.018 -0.984 -1.985 0.00 0.00 -0.170 NA ATOM 10 C LIG 1 2.017 -0.097 -1.946 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.762 0.796 -3.103 0.00 0.00 +0.068 C ATOM 12 C LIG 1 1.306 -0.173 -0.731 0.00 0.00 +0.025 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 1.408 4.534 0.959 0.00 0.00 +0.120 A ATOM 14 C LIG 1 1.994 3.409 1.540 0.00 0.00 +0.046 A ATOM 15 C LIG 1 1.595 2.120 1.171 0.00 0.00 +0.008 A ATOM 16 C LIG 1 0.603 1.931 0.196 0.00 0.00 -0.037 A ATOM 17 C LIG 1 0.010 3.071 -0.372 0.00 0.00 +0.008 A ATOM 18 C LIG 1 0.410 4.360 0.002 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 1.321 6.905 0.851 0.00 0.00 +0.277 C ATOM 20 O LIG 1 1.890 5.730 1.413 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 8 21 ATOM 21 C LIG 1 4.120 -2.415 -0.386 0.00 0.00 +0.067 A ATOM 22 C LIG 1 4.927 -2.958 -1.399 0.00 0.00 +0.028 A ATOM 23 C LIG 1 5.991 -3.804 -1.078 0.00 0.00 +0.002 A ATOM 24 C LIG 1 6.269 -4.101 0.254 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.493 -3.541 1.267 0.00 0.00 +0.002 A ATOM 26 C LIG 1 4.425 -2.694 0.953 0.00 0.00 +0.028 A ENDBRANCH 8 21 BRANCH 2 27 ATOM 27 N LIG 1 -1.810 -0.944 0.472 0.00 0.00 -0.299 N ATOM 28 H LIG 1 -1.997 -1.805 0.978 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 -2.912 -0.272 -0.017 0.00 0.00 +0.245 C ATOM 30 O LIG 1 -2.909 0.929 -0.260 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.148 -1.081 -0.210 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -5.386 -0.424 -0.173 0.00 0.00 +0.016 A ATOM 33 C LIG 1 -6.578 -1.137 -0.357 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -7.901 -0.435 -0.276 0.00 0.00 +0.044 C ATOM 35 C LIG 1 -6.518 -2.520 -0.564 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -5.287 -3.176 -0.618 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.102 -2.460 -0.448 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 5