REMARK Name = BDB005338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.969 -0.150 -0.165 0.00 0.00 -0.320 N ATOM 2 C LIG 1 0.255 -0.126 0.430 0.00 0.00 +0.077 A ATOM 3 C LIG 1 1.636 0.355 0.185 0.00 0.00 +0.161 C ATOM 4 N LIG 1 2.230 0.067 1.536 0.00 0.00 -0.253 N ATOM 5 C LIG 1 1.324 -0.564 2.421 0.00 0.00 +0.272 C ATOM 6 O LIG 1 1.503 -0.935 3.570 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.097 -0.661 1.670 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -1.172 -1.070 1.884 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.810 -0.820 0.743 0.00 0.00 +0.149 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 3.414 0.729 1.964 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.457 1.575 3.095 0.00 0.00 -0.029 A ATOM 12 C LIG 1 2.253 1.930 3.928 0.00 0.00 +0.045 C ATOM 13 C LIG 1 4.684 2.155 3.474 0.00 0.00 +0.006 A ATOM 14 C LIG 1 5.842 1.944 2.730 0.00 0.00 +0.020 A ATOM 15 C LIG 1 5.787 1.139 1.602 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 7.211 0.873 0.672 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 4.589 0.536 1.220 0.00 0.00 +0.043 A ENDBRANCH 4 10 BRANCH 3 18 ATOM 18 C LIG 1 2.339 -0.376 -0.944 0.00 0.00 -0.021 A ATOM 19 C LIG 1 2.942 0.363 -1.978 0.00 0.00 +0.007 A ATOM 20 C LIG 1 3.607 -0.282 -3.024 0.00 0.00 +0.020 A ATOM 21 C LIG 1 3.677 -1.673 -3.045 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 4.491 -2.467 -4.335 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 3.091 -2.424 -2.029 0.00 0.00 +0.020 A ATOM 24 C LIG 1 2.428 -1.779 -0.982 0.00 0.00 +0.007 A ENDBRANCH 3 18 BRANCH 9 25 ATOM 25 C LIG 1 -3.220 -1.142 0.549 0.00 0.00 +0.097 A ATOM 26 C LIG 1 -3.743 -1.868 -0.507 0.00 0.00 +0.231 A ATOM 27 N LIG 1 -5.055 -2.136 -0.664 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -5.866 -1.697 0.305 0.00 0.00 +0.321 A ATOM 29 N LIG 1 -5.479 -1.012 1.392 0.00 0.00 -0.202 NA ATOM 30 C LIG 1 -4.155 -0.767 1.493 0.00 0.00 +0.133 A BRANCH 26 31 ATOM 31 O LIG 1 -2.860 -2.329 -1.468 0.00 0.00 -0.479 OA ATOM 32 C LIG 1 -3.457 -3.209 -2.416 0.00 0.00 +0.279 C ENDBRANCH 26 31 BRANCH 28 33 ATOM 33 O LIG 1 -7.199 -1.983 0.109 0.00 0.00 -0.466 OA ATOM 34 C LIG 1 -8.015 -1.612 1.212 0.00 0.00 +0.280 C ENDBRANCH 28 33 ENDBRANCH 9 25 BRANCH 1 35 ATOM 35 C LIG 1 -1.390 0.504 -1.404 0.00 0.00 +0.112 C ATOM 36 C LIG 1 -0.738 -0.088 -2.651 0.00 0.00 +0.033 C BRANCH 35 37 ATOM 37 C LIG 1 -1.272 2.039 -1.332 0.00 0.00 +0.184 C BRANCH 37 39 ATOM 38 C LIG 1 0.183 3.892 -1.466 0.00 0.00 +0.194 C ATOM 39 O LIG 1 0.077 2.473 -1.516 0.00 0.00 -0.381 OA ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 8