REMARK Name = BDB043069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.612 -0.707 1.657 0.00 0.00 +0.218 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.819 -0.761 0.801 0.00 0.00 -0.273 NA ATOM 3 C LIG 1 -2.806 0.070 0.871 0.00 0.00 +0.040 C ATOM 4 C LIG 1 -2.890 1.262 1.802 0.00 0.00 +0.065 C BRANCH 3 5 ATOM 5 C LIG 1 -3.965 -0.159 -0.048 0.00 0.00 +0.015 C ATOM 6 C LIG 1 -4.494 -1.566 -0.146 0.00 0.00 +0.045 C ATOM 7 C LIG 1 -5.027 -1.877 -1.549 0.00 0.00 +0.040 C ATOM 8 C LIG 1 -5.885 -0.756 -2.083 0.00 0.00 -0.036 A ATOM 9 C LIG 1 -5.595 0.574 -1.716 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -6.410 1.605 -2.208 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -7.465 1.323 -3.079 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -7.722 0.010 -3.465 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.935 -1.028 -2.970 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.455 0.836 -0.809 0.00 0.00 +0.129 C BRANCH 14 15 ATOM 15 O LIG 1 -3.905 2.100 -0.819 0.00 0.00 -0.506 OA ATOM 16 H LIG 1 -4.059 2.480 -1.702 0.00 0.00 +0.292 HD ENDBRANCH 14 15 ENDBRANCH 3 5 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 -0.950 -1.039 3.118 0.00 0.00 +0.332 C ATOM 18 O LIG 1 -2.044 -1.411 3.530 0.00 0.00 -0.248 OA BRANCH 17 20 ATOM 19 C LIG 1 -0.064 -1.243 5.280 0.00 0.00 +0.280 C ATOM 20 O LIG 1 0.154 -0.908 3.910 0.00 0.00 -0.466 OA ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 1 21 ATOM 21 C LIG 1 0.163 0.608 1.467 0.00 0.00 +0.073 C BRANCH 21 22 ATOM 22 C LIG 1 1.661 0.413 1.360 0.00 0.00 -0.045 A ATOM 23 C LIG 1 2.510 0.762 2.415 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.889 0.574 2.301 0.00 0.00 +0.046 A ATOM 25 C LIG 1 4.443 0.031 1.140 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.603 -0.304 0.079 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.221 -0.117 0.190 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 O LIG 1 5.805 -0.091 1.159 0.00 0.00 -0.487 OA BRANCH 28 29 ATOM 29 C LIG 1 6.418 -0.936 0.180 0.00 0.00 +0.264 C BRANCH 29 30 ATOM 30 C LIG 1 6.761 -0.220 -1.108 0.00 0.00 -0.010 A ATOM 31 C LIG 1 7.064 1.149 -1.127 0.00 0.00 +0.007 A ATOM 32 C LIG 1 7.406 1.784 -2.322 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.462 1.057 -3.509 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.178 -0.307 -3.502 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.835 -0.944 -2.308 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 10