REMARK Name = BDB011355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.503 -0.657 -0.660 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.513 0.056 0.034 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.695 -0.438 -0.370 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.139 -0.203 -0.086 0.00 0.00 +0.154 C ATOM 5 N LIG 1 -2.727 -1.304 -0.918 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.747 -2.070 -1.586 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -1.909 -3.069 -2.266 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.492 -1.474 -1.236 0.00 0.00 +0.060 A ATOM 9 C LIG 1 0.874 -1.617 -1.451 0.00 0.00 +0.041 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 3.719 -0.816 0.527 0.00 0.00 +0.228 A ATOM 11 C LIG 1 2.941 -0.421 -0.543 0.00 0.00 +0.078 A ATOM 12 C LIG 1 3.644 0.214 -1.538 0.00 0.00 +0.129 A ATOM 13 N LIG 1 4.970 0.462 -1.486 0.00 0.00 -0.222 NA ATOM 14 C LIG 1 5.646 0.051 -0.399 0.00 0.00 +0.220 A ATOM 15 N LIG 1 5.046 -0.586 0.619 0.00 0.00 -0.179 NA BRANCH 14 16 ATOM 16 N LIG 1 7.012 0.324 -0.311 0.00 0.00 -0.306 N ATOM 17 C LIG 1 7.739 -0.535 0.609 0.00 0.00 +0.132 C ATOM 18 C LIG 1 7.652 0.608 -1.586 0.00 0.00 +0.132 C ENDBRANCH 14 16 BRANCH 10 20 ATOM 19 C LIG 1 3.971 -1.893 2.599 0.00 0.00 +0.279 C ATOM 20 O LIG 1 3.082 -1.461 1.575 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -4.046 -1.903 -0.684 0.00 0.00 +0.082 C ATOM 22 C LIG 1 -4.013 -2.857 0.521 0.00 0.00 +0.050 C ATOM 23 C LIG 1 -5.424 -3.112 1.020 0.00 0.00 +0.161 C ATOM 24 O LIG 1 -6.066 -1.924 1.483 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.655 -0.714 0.847 0.00 0.00 +0.161 C ATOM 26 C LIG 1 -5.219 -0.918 -0.594 0.00 0.00 +0.050 C ENDBRANCH 5 21 BRANCH 4 27 ATOM 27 C LIG 1 -2.633 1.163 -0.528 0.00 0.00 -0.021 A ATOM 28 C LIG 1 -2.509 1.592 -1.862 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -2.973 2.849 -2.258 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.572 3.700 -1.327 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -3.705 3.287 0.002 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.239 2.029 0.397 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 C LIG 1 -4.048 4.991 -1.730 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -4.434 6.037 -2.051 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 4 27 BRANCH 2 35 ATOM 35 C LIG 1 0.777 1.118 1.008 0.00 0.00 +0.081 C ATOM 36 C LIG 1 0.631 2.509 0.396 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -0.015 0.969 2.307 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 7