REMARK Name = BDB041634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.721 -0.410 -1.601 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -1.792 -0.194 -0.508 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -1.315 -0.689 0.883 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -1.509 0.002 1.891 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -0.718 -1.965 0.946 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -0.234 -2.487 -0.263 0.00 0.00 +0.135 A ATOM 7 N LIG 1 0.281 -3.748 -0.555 0.00 0.00 -0.218 N ATOM 8 N LIG 1 1.037 -3.695 -1.688 0.00 0.00 -0.170 NA ATOM 9 C LIG 1 0.691 -2.545 -2.278 0.00 0.00 +0.066 A ATOM 10 C LIG 1 1.208 -2.212 -3.628 0.00 0.00 +0.068 C ATOM 11 C LIG 1 -0.120 -1.761 -1.432 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 2.400 1.669 -0.633 0.00 0.00 +0.034 A ATOM 13 C LIG 1 1.385 0.699 -0.594 0.00 0.00 +0.027 A ATOM 14 C LIG 1 0.420 0.600 -1.613 0.00 0.00 -0.036 A ATOM 15 C LIG 1 0.490 1.515 -2.676 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.493 2.482 -2.722 0.00 0.00 +0.002 A ATOM 17 C LIG 1 2.445 2.558 -1.705 0.00 0.00 +0.023 A BRANCH 12 19 ATOM 18 C LIG 1 4.384 2.528 0.621 0.00 0.00 +0.293 C ATOM 19 N LIG 1 3.319 1.678 0.434 0.00 0.00 -0.275 N ATOM 20 H LIG 1 3.188 0.978 1.153 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 4.751 3.449 -0.092 0.00 0.00 -0.260 OA BRANCH 18 24 ATOM 22 C LIG 1 6.518 1.767 4.057 0.00 0.00 +0.106 C ATOM 23 C LIG 1 5.754 2.030 2.838 0.00 0.00 -0.096 C ATOM 24 C LIG 1 5.135 2.257 1.833 0.00 0.00 -0.008 C ENDBRANCH 18 24 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 7 25 ATOM 25 C LIG 1 0.007 -5.013 0.034 0.00 0.00 +0.067 A ATOM 26 C LIG 1 0.886 -6.082 -0.194 0.00 0.00 +0.028 A ATOM 27 C LIG 1 0.618 -7.340 0.350 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -0.538 -7.543 1.103 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.433 -6.493 1.304 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -1.169 -5.232 0.764 0.00 0.00 +0.028 A ENDBRANCH 7 25 BRANCH 2 31 ATOM 31 N LIG 1 -2.261 1.188 -0.387 0.00 0.00 -0.299 N ATOM 32 H LIG 1 -1.967 1.687 0.445 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 -2.938 1.818 -1.401 0.00 0.00 +0.245 C ATOM 34 O LIG 1 -3.186 1.272 -2.471 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.334 3.234 -1.165 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -3.567 3.741 0.121 0.00 0.00 +0.025 A ATOM 37 C LIG 1 -3.936 5.086 0.302 0.00 0.00 +0.056 A ATOM 38 C LIG 1 -4.088 5.908 -0.826 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -3.871 5.402 -2.107 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.499 4.068 -2.276 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 -4.208 5.622 1.687 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -3.396 5.075 2.633 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.039 6.970 1.785 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.482 5.372 2.095 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 2 31 BRANCH 5 45 ATOM 45 C LIG 1 -0.263 -2.418 2.267 0.00 0.00 +0.112 C ATOM 46 C LIG 1 1.074 -1.801 2.661 0.00 0.00 +0.025 C ENDBRANCH 5 45 TORSDOF 8