REMARK Name = BDB064658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.051 -1.407 2.191 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.639 -0.305 1.728 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.056 0.506 1.511 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.458 -2.523 2.266 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.277 0.563 0.913 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -2.304 -0.723 1.423 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.512 -1.106 2.603 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.217 -2.359 3.119 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.694 -3.032 1.833 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.131 -1.840 0.978 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -1.494 1.380 1.411 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.767 -3.922 2.087 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.436 -4.607 2.695 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.167 0.907 -0.301 0.00 0.00 +0.200 C BRANCH 14 15 ATOM 15 N LIG 1 -4.576 0.847 0.079 0.00 0.00 -0.239 N ATOM 16 N LIG 1 -5.021 1.393 1.227 0.00 0.00 -0.065 NA ATOM 17 N LIG 1 -6.320 1.137 1.316 0.00 0.00 -0.134 NA ATOM 18 C LIG 1 -6.681 0.426 0.212 0.00 0.00 +0.086 A ATOM 19 C LIG 1 -5.592 0.230 -0.598 0.00 0.00 +0.134 A BRANCH 18 20 ATOM 20 C LIG 1 -8.117 -0.064 -0.070 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -8.769 -0.992 0.923 0.00 0.00 +0.010 C ATOM 22 C LIG 1 -8.364 -1.507 -0.427 0.00 0.00 +0.010 C ENDBRANCH 18 20 ENDBRANCH 14 15 BRANCH 14 24 ATOM 23 C LIG 1 -3.681 2.384 -2.330 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -2.801 2.239 -1.063 0.00 0.00 -0.007 C ATOM 25 C LIG 1 -1.337 2.192 -1.554 0.00 0.00 +0.013 C ATOM 26 C LIG 1 -2.999 3.511 -0.215 0.00 0.00 +0.013 C ENDBRANCH 14 24 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 27 ATOM 27 C LIG 1 1.837 -0.482 0.911 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 1.375 -0.845 -0.521 0.00 0.00 +0.231 C ATOM 29 O LIG 1 0.240 -0.639 -0.952 0.00 0.00 -0.274 OA ATOM 30 N LIG 1 2.316 -1.411 -1.331 0.00 0.00 -0.328 N ATOM 31 H LIG 1 2.057 -1.635 -2.283 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 3.284 -1.524 -1.056 0.00 0.00 +0.145 HD ENDBRANCH 27 28 BRANCH 27 33 ATOM 33 C LIG 1 2.667 0.811 0.912 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 4.068 0.645 0.372 0.00 0.00 -0.045 A ATOM 35 C LIG 1 5.027 -0.077 1.092 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.316 -0.251 0.578 0.00 0.00 +0.009 A ATOM 37 C LIG 1 6.684 0.294 -0.662 0.00 0.00 -0.018 A ATOM 38 C LIG 1 5.716 1.022 -1.371 0.00 0.00 +0.009 A ATOM 39 C LIG 1 4.426 1.199 -0.862 0.00 0.00 +0.004 A BRANCH 37 40 ATOM 40 C LIG 1 8.043 0.111 -1.200 0.00 0.00 -0.018 A ATOM 41 C LIG 1 8.804 1.210 -1.636 0.00 0.00 +0.008 A ATOM 42 C LIG 1 10.094 1.038 -2.146 0.00 0.00 +0.001 A ATOM 43 C LIG 1 10.646 -0.237 -2.231 0.00 0.00 +0.000 A ATOM 44 C LIG 1 9.910 -1.340 -1.806 0.00 0.00 +0.001 A ATOM 45 C LIG 1 8.621 -1.167 -1.295 0.00 0.00 +0.008 A ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 2 27 TORSDOF 11