REMARK Name = BDB012265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.792 -0.613 0.841 0.00 0.00 -0.276 OA ATOM 2 C LIG 1 -1.490 -0.061 -0.000 0.00 0.00 +0.214 C ATOM 3 N LIG 1 -0.987 0.636 -1.080 0.00 0.00 -0.312 N ATOM 4 H LIG 1 -1.627 0.891 -1.821 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 0.443 0.699 -1.352 0.00 0.00 +0.073 C ATOM 6 C LIG 1 0.768 1.920 -2.227 0.00 0.00 +0.023 C ATOM 7 C LIG 1 1.975 1.721 -3.153 0.00 0.00 +0.015 C ATOM 8 C LIG 1 3.046 0.773 -2.602 0.00 0.00 +0.077 C ATOM 9 C LIG 1 2.457 -0.591 -2.193 0.00 0.00 +0.015 C ATOM 10 C LIG 1 0.937 -0.592 -2.007 0.00 0.00 +0.023 C BRANCH 8 11 ATOM 11 C LIG 1 3.812 1.390 -1.479 0.00 0.00 +0.220 A ATOM 12 O LIG 1 5.103 0.965 -1.304 0.00 0.00 -0.424 OA ATOM 13 C LIG 1 5.483 1.689 -0.204 0.00 0.00 +0.222 A ATOM 14 N LIG 1 4.536 2.495 0.228 0.00 0.00 -0.112 NA ATOM 15 N LIG 1 3.451 2.298 -0.598 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 6.860 1.490 0.309 0.00 0.00 +0.132 C BRANCH 16 17 ATOM 17 C LIG 1 7.054 0.152 0.985 0.00 0.00 -0.038 A ATOM 18 C LIG 1 6.584 -0.059 2.290 0.00 0.00 +0.004 A ATOM 19 C LIG 1 6.750 -1.298 2.910 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.383 -2.339 2.233 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.847 -2.143 0.933 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.682 -0.905 0.310 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 2 23 ATOM 23 C LIG 1 -3.002 -0.049 0.049 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -3.537 -0.905 1.191 0.00 0.00 +0.083 C BRANCH 24 25 ATOM 25 C LIG 1 -5.023 -0.704 1.318 0.00 0.00 +0.111 A ATOM 26 N LIG 1 -5.424 0.277 2.185 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -4.753 0.797 2.732 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -6.740 0.598 2.400 0.00 0.00 +0.259 A ATOM 29 O LIG 1 -7.077 1.474 3.187 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -7.719 -0.179 1.620 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -7.219 -1.153 0.751 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -8.126 -1.905 0.002 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -9.502 -1.685 0.121 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -9.985 -0.707 0.993 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.092 0.051 1.748 0.00 0.00 +0.015 A ATOM 36 N LIG 1 -5.844 -1.403 0.603 0.00 0.00 -0.234 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 7