REMARK Name = BDB006435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.803 -4.701 -1.887 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.646 -3.696 -0.798 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.420 -3.112 -0.351 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.724 -2.222 0.681 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.726 -1.481 1.339 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.603 -1.648 0.935 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.931 -2.523 -0.102 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.098 -2.262 0.858 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.072 -3.267 -0.740 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.666 -3.157 -0.029 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.133 -3.422 -0.088 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.339 -2.713 -0.549 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.173 -1.625 -0.395 0.00 0.00 -0.304 N ATOM 14 H LIG 1 -2.732 -0.722 -0.284 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.689 -3.773 -1.054 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.541 -1.627 -0.908 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 -5.043 -0.195 -1.052 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -4.960 0.735 0.000 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.423 2.054 -0.145 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -5.975 2.438 -1.374 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.061 1.531 -2.429 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.599 0.225 -2.270 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -5.321 3.021 1.021 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -6.703 3.486 1.488 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.427 4.217 0.684 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.483 -2.569 -0.100 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -6.864 -2.693 -0.751 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.634 -2.204 1.380 0.00 0.00 +0.009 C ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.827 -1.508 1.880 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 4.588 -0.328 1.322 0.00 0.00 -0.028 A ATOM 31 C LIG 1 3.987 0.599 0.460 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.705 1.700 -0.018 0.00 0.00 +0.009 A ATOM 33 C LIG 1 6.039 1.916 0.358 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.631 0.993 1.232 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.916 -0.110 1.713 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.793 3.075 -0.148 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.295 4.381 -0.006 0.00 0.00 +0.008 A ATOM 38 C LIG 1 7.011 5.482 -0.485 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.239 5.295 -1.115 0.00 0.00 +0.000 A ATOM 40 C LIG 1 8.751 4.008 -1.267 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.034 2.909 -0.787 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 8