REMARK Name = BDB060106 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.601 -2.165 -0.986 0.00 0.00 +0.186 A ATOM 2 C LIG 1 3.745 -1.925 -1.939 0.00 0.00 +0.293 A ATOM 3 O LIG 1 4.538 -2.846 -2.147 0.00 0.00 -0.264 OA ATOM 4 N LIG 1 3.854 -0.672 -2.542 0.00 0.00 -0.305 N ATOM 5 C LIG 1 4.976 -0.468 -3.444 0.00 0.00 +0.153 C ATOM 6 C LIG 1 2.945 0.401 -2.252 0.00 0.00 +0.094 A ATOM 7 C LIG 1 1.933 0.167 -1.310 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.044 1.189 -0.927 0.00 0.00 +0.033 A ATOM 9 C LIG 1 1.100 2.462 -1.490 0.00 0.00 +0.037 A ATOM 10 C LIG 1 2.108 2.699 -2.428 0.00 0.00 +0.071 A ATOM 11 C LIG 1 2.994 1.684 -2.834 0.00 0.00 +0.146 A ATOM 12 C LIG 1 1.771 -1.151 -0.701 0.00 0.00 +0.061 A ENDROOT BRANCH 9 13 ATOM 13 N LIG 1 0.272 3.530 -1.092 0.00 0.00 -0.298 N ATOM 14 H LIG 1 0.335 4.336 -1.706 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -0.970 3.533 -0.403 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -1.514 4.748 -0.011 0.00 0.00 +0.099 A ATOM 17 CL LIG 1 -0.799 6.268 -0.383 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -2.689 4.685 0.694 0.00 0.00 +0.137 A ATOM 19 N LIG 1 -3.305 3.531 1.012 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 -2.730 2.385 0.611 0.00 0.00 +0.220 A ATOM 21 N LIG 1 -1.582 2.372 -0.090 0.00 0.00 -0.198 NA BRANCH 20 22 ATOM 22 N LIG 1 -3.357 1.180 0.918 0.00 0.00 -0.299 N ATOM 23 C LIG 1 -2.594 -0.034 0.668 0.00 0.00 +0.111 C ATOM 24 C LIG 1 -3.534 -1.247 0.561 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -2.758 -2.544 0.796 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.773 -1.153 1.468 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.632 -0.152 2.617 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -3.708 -0.664 3.726 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.213 1.237 2.105 0.00 0.00 +0.111 C ENDBRANCH 20 22 ENDBRANCH 13 15 ENDBRANCH 9 13 BRANCH 11 30 ATOM 30 O LIG 1 3.946 2.015 -3.767 0.00 0.00 -0.493 OA ATOM 31 C LIG 1 3.356 2.280 -5.043 0.00 0.00 +0.277 C ENDBRANCH 11 30 BRANCH 1 32 ATOM 32 O LIG 1 2.520 -3.447 -0.470 0.00 0.00 -0.477 OA BRANCH 32 33 ATOM 33 C LIG 1 1.423 -3.796 0.361 0.00 0.00 +0.324 C BRANCH 33 37 ATOM 34 C LIG 1 3.107 -2.703 3.583 0.00 0.00 +0.128 C ATOM 35 N LIG 1 2.803 -3.290 2.305 0.00 0.00 -0.316 N ATOM 36 H LIG 1 3.560 -3.431 1.642 0.00 0.00 +0.148 HD ATOM 37 C LIG 1 1.526 -3.249 1.785 0.00 0.00 +0.250 C ATOM 38 O LIG 1 0.547 -2.836 2.400 0.00 0.00 -0.272 OA ENDBRANCH 33 37 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 7