REMARK Name = BDB027780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.119 -0.718 -0.043 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.332 -1.891 0.595 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.475 -1.746 1.384 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.938 -2.894 2.010 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.378 -4.130 1.929 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 0.269 -4.233 1.179 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.107 -0.578 1.548 0.00 0.00 -0.224 NA ATOM 8 C LIG 1 1.585 0.485 0.923 0.00 0.00 +0.184 A ATOM 9 C LIG 1 -0.286 -3.162 0.503 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.497 0.460 0.135 0.00 0.00 -0.210 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.246 1.765 1.104 0.00 0.00 +0.149 A ATOM 12 N LIG 1 3.383 1.965 1.849 0.00 0.00 -0.127 NA ATOM 13 N LIG 1 3.699 3.254 1.789 0.00 0.00 -0.068 NA ATOM 14 N LIG 1 2.778 3.856 1.023 0.00 0.00 -0.264 N ATOM 15 H LIG 1 2.856 4.854 0.864 0.00 0.00 +0.190 HD ATOM 16 C LIG 1 1.849 2.973 0.568 0.00 0.00 +0.138 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.265 -0.809 -0.887 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -1.085 -1.550 -1.562 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.294 -0.133 -2.154 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.023 0.329 -1.470 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -1.317 1.507 -2.096 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -2.090 1.687 -0.817 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3