REMARK Name = BDB007904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.129 -0.511 -0.933 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -3.233 -0.225 0.111 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -1.913 -0.706 0.094 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -1.511 -1.468 -1.012 0.00 0.00 +0.135 A ATOM 5 C LIG 1 -2.393 -1.780 -2.048 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.698 -1.294 -2.011 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -5.534 0.055 -0.910 0.00 0.00 +0.078 C BRANCH 7 8 ATOM 8 C LIG 1 -5.565 1.517 -1.379 0.00 0.00 +0.230 C BRANCH 8 9 ATOM 9 C LIG 1 -6.986 1.869 -1.828 0.00 0.00 +0.334 C ATOM 10 O LIG 1 -7.734 2.705 -1.347 0.00 0.00 -0.248 OA BRANCH 9 11 ATOM 11 O LIG 1 -7.383 1.171 -2.916 0.00 0.00 -0.479 OA ATOM 12 H LIG 1 -8.284 1.516 -3.095 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 O LIG 1 -5.136 2.340 -0.286 0.00 0.00 -0.365 OA BRANCH 13 15 ATOM 14 C LIG 1 -3.177 3.550 -1.028 0.00 0.00 +0.034 C ATOM 15 C LIG 1 -4.654 3.622 -0.684 0.00 0.00 +0.157 C ENDBRANCH 13 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 16 ATOM 16 C LIG 1 -0.980 -0.352 1.233 0.00 0.00 +0.074 C BRANCH 16 17 ATOM 17 C LIG 1 -0.373 -1.529 1.964 0.00 0.00 -0.043 A ATOM 18 C LIG 1 1.015 -1.598 2.158 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.585 -2.677 2.834 0.00 0.00 +0.000 A ATOM 20 C LIG 1 0.775 -3.691 3.340 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -0.607 -3.626 3.171 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.179 -2.549 2.491 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 4 23 ATOM 23 O LIG 1 -0.227 -2.018 -1.079 0.00 0.00 -0.425 OA BRANCH 23 24 ATOM 24 C LIG 1 0.740 -1.141 -1.564 0.00 0.00 +0.318 C ATOM 25 O LIG 1 0.536 -0.015 -2.005 0.00 0.00 -0.250 OA BRANCH 24 26 ATOM 26 C LIG 1 2.081 -1.835 -1.525 0.00 0.00 +0.179 C BRANCH 26 27 ATOM 27 C LIG 1 3.185 -0.895 -1.210 0.00 0.00 +0.093 A ATOM 28 C LIG 1 3.747 0.103 -1.980 0.00 0.00 +0.126 A ATOM 29 C LIG 1 3.502 0.645 -3.327 0.00 0.00 +0.088 C ATOM 30 O LIG 1 4.742 0.688 -1.249 0.00 0.00 -0.440 OA ATOM 31 C LIG 1 4.739 0.008 -0.059 0.00 0.00 +0.228 A ATOM 32 N LIG 1 3.833 -0.950 0.006 0.00 0.00 -0.213 NA BRANCH 31 33 ATOM 33 C LIG 1 5.711 0.428 0.947 0.00 0.00 +0.037 A ATOM 34 C LIG 1 5.748 -0.226 2.188 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.665 0.155 3.172 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.557 1.196 2.926 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.533 1.857 1.699 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.616 1.475 0.716 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13