REMARK Name = BDB027104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.401 -0.280 1.788 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.181 -0.290 3.196 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.114 0.762 4.080 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.408 0.772 5.375 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.220 -0.274 5.808 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.503 -1.335 4.951 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.982 -1.349 3.656 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 1.577 -1.184 1.746 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 1.241 -2.117 1.491 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 2.634 -0.760 0.824 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 2.301 -0.900 -0.669 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.710 0.104 -3.125 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.797 1.095 -2.753 0.00 0.00 +0.019 A ATOM 14 C LIG 1 3.692 0.770 -1.962 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.486 -0.550 -1.539 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.408 -1.538 -1.911 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.513 -1.214 -2.702 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 7.760 0.710 -4.594 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 6.843 0.437 -3.937 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.655 -0.699 0.727 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.628 -1.833 0.236 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 -1.676 0.275 0.311 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -2.702 0.083 -0.677 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -3.446 1.262 -0.749 0.00 0.00 +0.048 A ATOM 25 C LIG 1 -4.533 1.425 -1.617 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.865 0.349 -2.450 0.00 0.00 +0.061 A ATOM 27 C LIG 1 -4.159 -0.855 -2.390 0.00 0.00 +0.016 A ATOM 28 N LIG 1 -2.910 2.137 0.165 0.00 0.00 -0.360 N ATOM 29 H LIG 1 -3.265 3.067 0.344 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 -3.075 -0.993 -1.513 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -1.841 1.561 0.799 0.00 0.00 +0.095 A BRANCH 26 32 ATOM 32 C LIG 1 -6.013 0.519 -3.373 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -7.028 1.119 -3.069 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 -5.792 -0.010 -4.595 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 -4.876 -0.309 -4.749 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 10