REMARK Name = BDB007577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.415 -1.376 -1.729 0.00 0.00 +0.244 C ATOM 2 N LIG 1 0.483 -0.024 -1.464 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.260 0.391 -0.915 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.397 -2.051 -2.021 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.362 -1.907 -1.579 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -2.112 -1.281 -1.729 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -0.925 -2.012 -1.593 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.988 -3.388 -1.343 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.224 -4.021 -1.206 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -3.404 -3.285 -1.322 0.00 0.00 +0.005 A BRANCH 5 11 ATOM 11 C LIG 1 -4.645 -1.116 -1.739 0.00 0.00 +0.119 C BRANCH 11 17 ATOM 12 C LIG 1 -8.253 1.260 2.727 0.00 0.00 +0.109 C ATOM 13 C LIG 1 -7.718 2.010 1.534 0.00 0.00 +0.213 C ATOM 14 N LIG 1 -6.721 1.391 0.801 0.00 0.00 -0.299 N ATOM 15 C LIG 1 -6.202 2.052 -0.398 0.00 0.00 +0.123 C ATOM 16 C LIG 1 -5.733 1.026 -1.443 0.00 0.00 +0.103 C ATOM 17 N LIG 1 -4.659 0.131 -0.960 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 -4.732 -0.095 0.498 0.00 0.00 +0.103 C ATOM 19 C LIG 1 -6.125 0.093 1.129 0.00 0.00 +0.123 C ATOM 20 O LIG 1 -8.161 3.122 1.248 0.00 0.00 -0.276 OA ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 2 21 ATOM 21 C LIG 1 1.769 0.650 -1.381 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 2.437 0.422 -0.018 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 1.644 1.055 1.003 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 2.270 1.190 1.744 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.857 1.024 0.010 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.445 0.996 1.372 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 5.690 1.794 1.424 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.901 1.132 0.799 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.970 -0.266 0.660 0.00 0.00 -0.042 A ATOM 30 C LIG 1 8.116 -0.855 0.109 0.00 0.00 +0.004 A ATOM 31 C LIG 1 9.196 -0.065 -0.280 0.00 0.00 +0.000 A ATOM 32 C LIG 1 9.139 1.319 -0.125 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.791 -1.128 1.041 0.00 0.00 +0.051 C ATOM 34 C LIG 1 7.999 1.915 0.414 0.00 0.00 +0.005 A ATOM 35 C LIG 1 4.742 -0.364 1.863 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 8