REMARK Name = BDB047328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 8.572 1.326 -0.203 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 7.441 0.950 0.088 0.00 0.00 +0.257 A ATOM 3 C LIG 1 7.009 -0.456 -0.123 0.00 0.00 +0.047 A ATOM 4 C LIG 1 5.701 -0.850 0.223 0.00 0.00 -0.004 A ATOM 5 C LIG 1 5.360 -2.197 -0.004 0.00 0.00 +0.009 A ATOM 6 C LIG 1 6.279 -3.103 -0.548 0.00 0.00 +0.001 A ATOM 7 C LIG 1 7.563 -2.687 -0.881 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.770 0.148 0.795 0.00 0.00 +0.006 A ATOM 9 C LIG 1 5.218 1.468 0.980 0.00 0.00 +0.050 A ATOM 10 C LIG 1 4.390 2.458 1.516 0.00 0.00 +0.026 A ATOM 11 C LIG 1 3.083 2.148 1.880 0.00 0.00 +0.005 A ATOM 12 C LIG 1 2.596 0.849 1.710 0.00 0.00 -0.047 A ATOM 13 C LIG 1 3.445 -0.137 1.172 0.00 0.00 +0.014 A ATOM 14 C LIG 1 7.931 -1.363 -0.669 0.00 0.00 +0.014 A ATOM 15 N LIG 1 6.525 1.819 0.624 0.00 0.00 -0.322 N ATOM 16 H LIG 1 6.852 2.767 0.755 0.00 0.00 +0.169 HD ENDROOT BRANCH 12 17 ATOM 17 C LIG 1 1.176 0.508 2.095 0.00 0.00 +0.035 C BRANCH 17 18 ATOM 18 C LIG 1 0.252 0.257 0.897 0.00 0.00 +0.006 C BRANCH 18 19 ATOM 19 C LIG 1 -0.021 1.524 0.079 0.00 0.00 +0.016 C BRANCH 19 20 ATOM 20 C LIG 1 -0.916 1.297 -1.148 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 N LIG 1 -2.261 0.855 -0.759 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 -2.490 -0.563 -1.080 0.00 0.00 +0.089 C ATOM 23 C LIG 1 -3.825 -1.053 -0.489 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -4.955 -0.081 -0.730 0.00 0.00 -0.042 C ATOM 25 C LIG 1 -4.694 1.166 -1.163 0.00 0.00 -0.008 C ATOM 26 C LIG 1 -3.301 1.683 -1.389 0.00 0.00 +0.112 C BRANCH 24 27 ATOM 27 C LIG 1 -6.339 -0.533 -0.507 0.00 0.00 -0.022 A ATOM 28 C LIG 1 -7.192 0.188 0.340 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -8.504 -0.237 0.563 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -8.978 -1.390 -0.059 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -8.141 -2.116 -0.904 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.829 -1.691 -1.126 0.00 0.00 +0.008 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 12 17 TORSDOF 6