REMARK Name = BDB013891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.660 0.676 0.823 0.00 0.00 -0.265 N ATOM 2 C LIG 1 -0.750 0.479 2.256 0.00 0.00 +0.040 A ATOM 3 C LIG 1 0.183 0.910 3.223 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -0.058 0.610 4.594 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.178 -0.090 5.024 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.097 -0.513 4.087 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.444 1.722 3.036 0.00 0.00 +0.039 C ATOM 8 C LIG 1 1.886 2.096 1.641 0.00 0.00 +0.036 C ATOM 9 C LIG 1 1.847 0.871 0.751 0.00 0.00 +0.160 C ATOM 10 C LIG 1 -1.882 -0.232 2.736 0.00 0.00 +0.024 A ATOM 11 C LIG 1 0.490 0.880 0.062 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.452 1.069 -1.164 0.00 0.00 -0.273 OA ENDROOT BRANCH 9 13 ATOM 13 N LIG 1 2.875 0.938 -0.287 0.00 0.00 -0.303 N ATOM 14 H LIG 1 2.540 1.116 -1.230 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 4.184 0.599 -0.045 0.00 0.00 +0.230 C ATOM 16 O LIG 1 4.582 0.328 1.088 0.00 0.00 -0.274 OA BRANCH 15 17 ATOM 17 C LIG 1 5.125 0.670 -1.278 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.578 -0.077 -2.494 0.00 0.00 +0.034 C BRANCH 17 19 ATOM 19 N LIG 1 6.501 0.249 -0.905 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.693 0.666 0.011 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 6.663 -1.195 -0.769 0.00 0.00 +0.101 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 9 13 BRANCH 1 22 ATOM 22 C LIG 1 -1.912 0.746 0.056 0.00 0.00 +0.153 C BRANCH 22 24 ATOM 23 C LIG 1 -3.561 -0.162 -1.560 0.00 0.00 +0.126 A ATOM 24 C LIG 1 -2.418 -0.455 -0.756 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.871 -1.788 -0.780 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -2.480 -2.750 -1.635 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -1.995 -4.067 -1.720 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -0.906 -4.486 -0.965 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -0.294 -3.587 -0.113 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.587 -2.412 -2.415 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -0.769 -2.272 -0.024 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.131 -1.135 -2.375 0.00 0.00 +0.046 A BRANCH 23 33 ATOM 33 O LIG 1 -4.058 1.116 -1.453 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.064 1.529 -2.375 0.00 0.00 +0.256 C BRANCH 34 36 ATOM 35 C LIG 1 -4.830 3.831 -1.310 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -5.386 2.988 -2.192 0.00 0.00 +0.006 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8