REMARK Name = BDB035213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.668 -0.616 -0.891 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -6.289 -1.182 -0.641 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -5.280 -0.409 -0.108 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -3.993 -0.946 0.059 0.00 0.00 +0.263 A ATOM 5 O LIG 1 -3.064 -0.282 0.515 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -3.779 -2.371 -0.308 0.00 0.00 +0.068 A ATOM 7 C LIG 1 -4.904 -3.043 -0.791 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -4.807 -4.388 -1.159 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.599 -5.069 -1.055 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.475 -4.404 -0.576 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -2.542 -3.051 -0.188 0.00 0.00 -0.033 A ATOM 12 N LIG 1 -6.146 -2.429 -0.947 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -5.431 1.006 0.297 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -5.619 1.947 -0.896 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -5.394 1.636 -2.062 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -6.051 3.217 -0.581 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -6.187 3.839 -1.367 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -6.570 3.651 0.615 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -7.109 4.749 0.708 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -6.408 2.728 1.801 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -6.478 1.264 1.381 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 -1.260 -2.414 0.307 0.00 0.00 +0.036 C BRANCH 22 23 ATOM 23 C LIG 1 -0.538 -1.641 -0.802 0.00 0.00 +0.005 C BRANCH 23 24 ATOM 24 C LIG 1 0.662 -0.832 -0.298 0.00 0.00 +0.002 C BRANCH 24 25 ATOM 25 C LIG 1 1.794 -1.705 0.255 0.00 0.00 +0.015 C BRANCH 25 26 ATOM 26 C LIG 1 3.016 -0.890 0.704 0.00 0.00 +0.081 C BRANCH 26 27 ATOM 27 N LIG 1 3.642 -0.221 -0.433 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 3.830 -0.903 -1.168 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 4.864 0.547 -0.151 0.00 0.00 +0.020 C ATOM 30 C LIG 1 4.665 1.626 0.944 0.00 0.00 +0.025 C ATOM 31 C LIG 1 5.949 2.457 1.126 0.00 0.00 -0.009 C ATOM 32 C LIG 1 7.102 1.523 1.530 0.00 0.00 +0.007 C ATOM 33 C LIG 1 7.335 0.467 0.436 0.00 0.00 -0.009 C ATOM 34 C LIG 1 7.677 1.173 -0.885 0.00 0.00 +0.007 C ATOM 35 C LIG 1 6.526 2.102 -1.297 0.00 0.00 -0.009 C ATOM 36 C LIG 1 6.299 3.152 -0.199 0.00 0.00 +0.007 C ATOM 37 C LIG 1 6.052 -0.365 0.252 0.00 0.00 +0.025 C ATOM 38 C LIG 1 5.244 1.270 -1.473 0.00 0.00 +0.025 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 8