REMARK Name = BDB024146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.573 -1.702 -0.215 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.388 -3.197 0.012 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.681 -3.996 -0.902 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.515 -5.362 -0.672 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.063 -5.950 0.466 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.785 -5.175 1.371 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.952 -3.808 1.144 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.711 -1.061 0.390 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.505 -1.645 1.188 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.233 -1.016 -0.627 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.089 -0.514 -1.740 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.506 0.660 0.342 0.00 0.00 +0.066 A ATOM 13 C LIG 1 3.575 0.866 -0.667 0.00 0.00 +0.139 A ATOM 14 N LIG 1 2.335 0.319 -0.676 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.980 -0.476 0.344 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.845 -0.734 1.402 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.121 -0.162 1.402 0.00 0.00 +0.031 A BRANCH 12 22 ATOM 18 C LIG 1 8.558 3.290 -0.990 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.571 2.427 -0.305 0.00 0.00 +0.056 A ATOM 20 N LIG 1 7.876 1.832 0.889 0.00 0.00 -0.241 NA ATOM 21 C LIG 1 6.803 1.148 1.219 0.00 0.00 +0.204 A ATOM 22 N LIG 1 5.790 1.264 0.292 0.00 0.00 -0.304 N ATOM 23 C LIG 1 6.291 2.091 -0.691 0.00 0.00 +0.115 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.625 -1.480 -1.234 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.156 -1.570 -2.141 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.209 -0.133 -1.175 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.261 0.001 -0.064 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.917 1.362 -0.077 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.134 1.556 -0.745 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.734 2.817 -0.771 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.121 3.899 -0.133 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.903 3.714 0.530 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.304 2.452 0.556 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.736 5.194 -0.158 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -7.235 6.242 -0.175 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9