REMARK Name = BDB060632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.499 -1.213 0.086 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.642 -2.710 0.330 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.929 -3.570 -0.743 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.072 -4.943 -0.535 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.935 -5.473 0.746 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.659 -4.632 1.821 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.516 -3.258 1.617 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.166 -0.679 0.691 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.142 -0.198 1.830 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 5.115 0.335 0.396 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.622 -0.324 -0.742 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.255 -0.638 -0.771 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.381 -0.328 0.273 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.070 -0.790 -0.101 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.206 -1.369 -1.352 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.907 0.321 1.411 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.518 -1.278 -1.737 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.895 -1.633 -2.606 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 4.269 0.640 1.464 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 N LIG 1 7.191 1.030 -0.670 0.00 0.00 -0.312 N ATOM 21 H LIG 1 6.629 1.202 -1.492 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 6.554 0.702 0.510 0.00 0.00 +0.244 C ATOM 23 O LIG 1 7.099 0.733 1.607 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 8.640 2.991 -0.370 0.00 0.00 +0.024 C ATOM 25 C LIG 1 8.558 1.507 -0.678 0.00 0.00 +0.101 C ENDBRANCH 20 25 ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.623 -0.424 0.650 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.598 -0.514 1.667 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.936 -0.788 0.117 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 -5.073 0.191 0.512 0.00 0.00 +0.030 C ATOM 30 C LIG 1 -5.188 0.394 2.028 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -5.003 1.514 -0.239 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.969 1.814 -1.213 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.922 3.019 -1.920 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.906 3.943 -1.665 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -3.938 3.656 -0.699 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -3.988 2.451 0.007 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -4.854 5.176 -2.393 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -4.815 6.172 -2.988 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10