REMARK Name = BDB006051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.987 -2.004 -0.829 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 -4.856 -1.736 -0.438 0.00 0.00 +0.273 A ATOM 3 C LIG 1 -4.377 -0.348 -0.390 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.090 -0.125 0.065 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -2.536 1.158 0.152 0.00 0.00 +0.077 A ATOM 6 N LIG 1 -1.221 1.396 0.616 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -0.512 0.353 0.964 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -1.012 -0.931 0.908 0.00 0.00 -0.325 N ATOM 9 H LIG 1 -0.423 -1.705 1.180 0.00 0.00 +0.169 HD ATOM 10 C LIG 1 -3.331 2.235 -0.242 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -4.638 2.028 -0.706 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -2.265 -1.264 0.475 0.00 0.00 +0.162 A ATOM 13 N LIG 1 -2.690 -2.493 0.432 0.00 0.00 -0.153 NA ATOM 14 C LIG 1 -5.165 0.734 -0.781 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -3.966 -2.704 -0.020 0.00 0.00 -0.241 N ATOM 16 H LIG 1 -4.282 -3.668 -0.049 0.00 0.00 +0.192 HD ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 0.923 0.563 1.460 0.00 0.00 +0.158 C BRANCH 17 18 ATOM 18 N LIG 1 1.853 0.646 0.322 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 3.031 1.454 0.664 0.00 0.00 +0.087 C ATOM 20 C LIG 1 4.188 1.216 -0.299 0.00 0.00 +0.046 C ATOM 21 C LIG 1 4.666 -0.232 -0.210 0.00 0.00 +0.117 C ATOM 22 C LIG 1 3.530 -1.205 0.112 0.00 0.00 +0.046 C ATOM 23 C LIG 1 2.175 -0.638 -0.311 0.00 0.00 +0.087 C BRANCH 21 24 ATOM 24 O LIG 1 5.283 -0.580 -1.448 0.00 0.00 -0.392 OA ATOM 25 H LIG 1 5.673 -1.465 -1.347 0.00 0.00 +0.210 HD ENDBRANCH 21 24 ENDBRANCH 17 18 ENDBRANCH 7 17 TORSDOF 3