REMARK Name = BDB030560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.362 -2.011 -0.554 0.00 0.00 +0.162 A ATOM 2 C LIG 1 0.481 -1.896 0.552 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.060 -1.400 1.729 0.00 0.00 -0.198 F ATOM 4 C LIG 1 1.806 -2.327 0.443 0.00 0.00 +0.159 A ATOM 5 N LIG 1 2.275 -2.870 -0.692 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 1.408 -2.952 -1.704 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.128 -2.552 -1.692 0.00 0.00 -0.218 NA ENDROOT BRANCH 4 8 ATOM 8 N LIG 1 2.635 -2.256 1.585 0.00 0.00 -0.326 N ATOM 9 H LIG 1 2.490 -1.341 2.030 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 4.061 -2.486 1.370 0.00 0.00 +0.109 C BRANCH 10 11 ATOM 11 C LIG 1 4.770 -1.241 0.806 0.00 0.00 +0.037 C ATOM 12 C LIG 1 4.840 -0.080 1.812 0.00 0.00 +0.133 C ATOM 13 C LIG 1 5.524 1.151 1.165 0.00 0.00 +0.116 C ATOM 14 N LIG 1 6.527 0.827 0.128 0.00 0.00 -0.292 NA ATOM 15 C LIG 1 7.190 -0.443 0.422 0.00 0.00 +0.085 C ATOM 16 C LIG 1 6.191 -1.604 0.330 0.00 0.00 +0.023 C BRANCH 12 17 ATOM 17 O LIG 1 3.531 0.272 2.268 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 3.624 1.036 2.865 0.00 0.00 +0.210 HD ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 7.518 1.921 -0.018 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 6.868 3.169 -0.619 0.00 0.00 +0.225 C ATOM 21 O LIG 1 7.091 4.309 -0.227 0.00 0.00 -0.275 OA ATOM 22 N LIG 1 6.036 2.925 -1.678 0.00 0.00 -0.328 N ATOM 23 H LIG 1 5.485 3.701 -2.015 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 5.644 1.991 -1.744 0.00 0.00 +0.145 HD ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 4 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.699 -1.578 -0.584 0.00 0.00 -0.309 N BRANCH 25 27 ATOM 26 C LIG 1 -2.938 -3.701 -0.957 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -2.569 -2.328 -1.506 0.00 0.00 +0.103 C ENDBRANCH 25 27 BRANCH 25 28 ATOM 28 C LIG 1 -2.291 -0.992 0.625 0.00 0.00 +0.141 C BRANCH 28 29 ATOM 29 C LIG 1 -3.594 -0.264 0.362 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -3.614 0.884 -0.443 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -4.812 1.564 -0.685 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.015 1.113 -0.126 0.00 0.00 -0.015 A ATOM 33 C LIG 1 -5.993 -0.034 0.678 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.796 -0.715 0.922 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.268 1.806 -0.375 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -7.398 3.157 -0.629 0.00 0.00 +0.116 A ATOM 37 N LIG 1 -8.733 3.392 -0.788 0.00 0.00 -0.274 N ATOM 38 C LIG 1 -9.364 4.659 -1.068 0.00 0.00 +0.172 C ATOM 39 N LIG 1 -9.492 2.291 -0.654 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 -8.600 1.329 -0.402 0.00 0.00 +0.142 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11