REMARK Name = BDB018834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.403 0.053 0.801 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -1.076 -0.355 0.581 0.00 0.00 -0.263 N ATOM 3 C LIG 1 0.056 0.543 0.626 0.00 0.00 +0.079 A ATOM 4 C LIG 1 1.367 0.044 0.412 0.00 0.00 +0.150 A ATOM 5 C LIG 1 2.495 0.898 0.366 0.00 0.00 +0.026 A ATOM 6 C LIG 1 2.296 2.272 0.561 0.00 0.00 +0.012 A ATOM 7 C LIG 1 1.020 2.780 0.783 0.00 0.00 +0.003 A ATOM 8 O LIG 1 1.621 -1.295 0.188 0.00 0.00 -0.488 OA ATOM 9 C LIG 1 0.626 -2.127 0.767 0.00 0.00 +0.248 C ATOM 10 C LIG 1 -0.085 1.925 0.808 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -0.743 -1.743 0.241 0.00 0.00 +0.155 C ATOM 12 O LIG 1 -2.713 1.068 1.430 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 3.861 0.396 0.134 0.00 0.00 -0.014 A ATOM 14 C LIG 1 4.574 0.758 -1.021 0.00 0.00 +0.008 A ATOM 15 C LIG 1 5.875 0.296 -1.237 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.484 -0.534 -0.298 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.794 -0.902 0.854 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.493 -0.440 1.068 0.00 0.00 +0.008 A ENDBRANCH 5 13 BRANCH 1 20 ATOM 19 N LIG 1 -4.890 -0.442 0.600 0.00 0.00 -0.258 N ATOM 20 C LIG 1 -3.511 -0.807 0.145 0.00 0.00 +0.170 C ATOM 21 C LIG 1 -3.562 -0.563 -1.364 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -4.460 0.657 -1.481 0.00 0.00 +0.022 C ATOM 23 C LIG 1 -5.531 0.420 -0.425 0.00 0.00 +0.117 C BRANCH 19 25 ATOM 24 N LIG 1 -5.724 -0.753 2.931 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 -5.333 -0.588 1.855 0.00 0.00 +0.170 C ENDBRANCH 19 25 ENDBRANCH 1 20 TORSDOF 3