REMARK Name = BDB024200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.415 -1.705 -0.663 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.144 -2.797 0.365 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.456 -2.490 1.549 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.207 -3.474 2.507 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.642 -4.780 2.295 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.326 -5.103 1.126 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.576 -4.120 0.167 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.434 -1.667 -2.443 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.659 -2.020 -3.363 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.796 -2.089 -2.038 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.409 -2.824 -2.831 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.394 0.651 -0.635 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -2.181 0.360 -0.021 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.191 -0.387 -0.576 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.396 -0.885 -1.805 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.576 -0.646 -2.502 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.580 0.128 -1.913 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -6.215 2.899 2.780 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -5.653 2.443 1.532 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -6.212 2.832 0.374 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -5.462 2.232 -0.553 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -4.415 1.460 0.003 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -4.574 1.621 1.365 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 2.866 -1.454 -0.882 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 3.267 -2.301 -1.288 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.622 -1.054 0.307 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.241 0.313 0.906 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 3.460 1.484 -0.030 0.00 0.00 -0.028 A ATOM 29 C LIG 1 4.722 2.065 -0.241 0.00 0.00 +0.045 A ATOM 30 CL LIG 1 6.134 1.515 0.590 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 4.878 3.131 -1.133 0.00 0.00 +0.039 A ATOM 32 C LIG 1 3.775 3.633 -1.828 0.00 0.00 +0.053 A ATOM 33 C LIG 1 2.514 3.067 -1.627 0.00 0.00 +0.019 A ATOM 34 C LIG 1 2.360 2.003 -0.736 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 3.935 4.724 -2.743 0.00 0.00 +0.099 C ATOM 36 N LIG 1 4.063 5.612 -3.480 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9