REMARK Name = BDB006434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.638 -3.939 -1.496 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.854 -3.150 -0.252 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.843 -2.645 0.624 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.482 -1.968 1.665 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.759 -1.360 2.708 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.636 -1.436 2.681 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.299 -2.090 1.643 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.844 -2.046 1.425 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.568 -2.711 0.618 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.082 -2.771 0.272 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.453 -3.036 -0.252 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.787 -2.116 1.661 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.401 -2.124 0.425 0.00 0.00 -0.304 N ATOM 14 H LIG 1 -2.831 -1.897 -0.376 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.388 -2.097 2.728 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.840 -1.914 0.290 0.00 0.00 +0.106 C BRANCH 16 17 ATOM 17 C LIG 1 -5.162 -0.430 0.168 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -4.470 0.419 -0.714 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -4.780 1.786 -0.818 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -5.806 2.303 -0.015 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -6.498 1.478 0.869 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.178 0.124 0.961 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -4.032 2.701 -1.770 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -4.222 2.271 -3.227 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -2.545 2.787 -1.415 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.426 -2.812 -0.836 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -6.959 -2.820 -0.816 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.931 -2.489 -2.248 0.00 0.00 +0.009 C ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 3.875 -1.485 2.300 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 4.493 -0.221 1.750 0.00 0.00 -0.028 A ATOM 31 C LIG 1 3.707 0.869 1.356 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.300 2.041 0.874 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.694 2.163 0.780 0.00 0.00 -0.018 A ATOM 34 C LIG 1 6.477 1.073 1.188 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.887 -0.101 1.672 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.316 3.397 0.272 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.017 4.645 0.843 0.00 0.00 +0.008 A ATOM 38 C LIG 1 6.608 5.817 0.362 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.507 5.760 -0.699 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.817 4.533 -1.280 0.00 0.00 +0.001 A ATOM 41 C LIG 1 7.227 3.361 -0.797 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 8