REMARK Name = BDB060705 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.331 -3.070 1.153 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.471 -1.715 1.375 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.623 -1.296 0.741 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.127 -2.444 0.141 0.00 0.00 +0.092 A ATOM 5 C LIG 1 3.305 -2.382 -0.629 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.941 -1.128 -0.747 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.442 0.021 -0.116 0.00 0.00 +0.020 A ATOM 8 C LIG 1 3.890 -3.576 -1.324 0.00 0.00 +0.046 C ATOM 9 C LIG 1 2.253 -0.050 0.626 0.00 0.00 +0.039 A ATOM 10 N LIG 1 1.329 -3.524 0.421 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 4.112 1.319 -0.243 0.00 0.00 +0.142 A ATOM 12 N LIG 1 5.456 1.560 -0.026 0.00 0.00 -0.327 N ATOM 13 C LIG 1 6.433 0.608 0.446 0.00 0.00 +0.151 C ATOM 14 C LIG 1 5.706 2.892 -0.273 0.00 0.00 +0.069 A ATOM 15 C LIG 1 4.457 3.417 -0.584 0.00 0.00 +0.090 A ATOM 16 C LIG 1 4.334 4.782 -0.882 0.00 0.00 +0.030 A ATOM 17 C LIG 1 5.482 5.583 -0.863 0.00 0.00 +0.002 A ATOM 18 C LIG 1 6.727 5.034 -0.552 0.00 0.00 +0.002 A ATOM 19 C LIG 1 6.867 3.675 -0.248 0.00 0.00 +0.028 A ATOM 20 N LIG 1 3.491 2.448 -0.537 0.00 0.00 -0.228 NA ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.784 -3.920 1.676 0.00 0.00 +0.074 C BRANCH 21 23 ATOM 22 C LIG 1 -2.316 -3.804 -0.356 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -1.500 -4.697 0.568 0.00 0.00 +0.004 C ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 C LIG 1 -0.393 -0.869 2.189 0.00 0.00 +0.158 C BRANCH 24 25 ATOM 25 C LIG 1 -1.683 -0.500 1.496 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -2.905 -0.657 2.164 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.109 -0.314 1.540 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -4.126 0.211 0.239 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -2.899 0.383 -0.418 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -1.694 0.043 0.204 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -5.398 0.555 -0.420 0.00 0.00 -0.006 A ATOM 32 C LIG 1 -5.727 1.849 -0.878 0.00 0.00 +0.044 A ATOM 33 C LIG 1 -6.928 2.073 -1.575 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -7.827 1.032 -1.796 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.529 -0.244 -1.333 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.328 -0.479 -0.659 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -4.871 3.049 -0.684 0.00 0.00 +0.242 C ATOM 38 O LIG 1 -4.713 3.867 -1.580 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -4.316 3.239 0.548 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -3.692 4.027 0.660 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -4.375 2.561 1.293 0.00 0.00 +0.145 HD ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 7