REMARK Name = BDB027075 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.178 1.024 -0.106 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.780 2.210 0.641 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.659 3.121 0.034 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.179 4.198 0.755 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.816 4.392 2.086 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.922 3.516 2.695 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.402 2.438 1.977 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.149 1.438 -0.636 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 0.002 1.768 -1.595 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 0.892 -0.753 -1.584 0.00 0.00 +0.024 C ATOM 11 C LIG 1 1.182 0.390 -0.606 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 2.537 1.069 -0.928 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 3.741 0.180 -0.706 0.00 0.00 -0.046 A ATOM 14 C LIG 1 4.471 -0.316 -1.795 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.582 -1.140 -1.590 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.972 -1.482 -0.290 0.00 0.00 +0.037 A ATOM 17 C LIG 1 5.257 -0.973 0.800 0.00 0.00 +0.013 A ATOM 18 C LIG 1 4.148 -0.150 0.593 0.00 0.00 +0.004 A BRANCH 16 19 ATOM 19 C LIG 1 7.145 -2.357 -0.018 0.00 0.00 +0.242 C ATOM 20 O LIG 1 7.704 -2.365 1.072 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 7.559 -3.191 -1.020 0.00 0.00 -0.325 N ATOM 22 H LIG 1 6.965 -3.423 -1.802 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 8.271 -3.863 -0.762 0.00 0.00 +0.145 HD ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.076 0.518 -1.262 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -1.844 0.892 -2.420 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.188 -0.412 -1.004 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -3.759 -0.935 0.211 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -4.796 -1.801 -0.159 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -5.581 -2.504 0.765 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -5.314 -2.322 2.122 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -4.301 -1.466 2.533 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -4.867 -1.800 -1.530 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -5.534 -2.334 -2.071 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -3.524 -0.773 1.595 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -3.915 -0.973 -2.045 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8