REMARK Name = BDB051494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.262 -3.134 0.464 0.00 0.00 +0.183 C ATOM 2 N LIG 1 -0.564 -3.324 -0.585 0.00 0.00 -0.253 N ATOM 3 C LIG 1 -1.110 -2.138 -0.992 0.00 0.00 +0.180 C ATOM 4 N LIG 1 -2.026 -1.950 -1.895 0.00 0.00 -0.070 NA ATOM 5 O LIG 1 -2.562 -3.152 -2.441 0.00 0.00 -0.391 OA ATOM 6 C LIG 1 -1.611 -4.223 -2.522 0.00 0.00 +0.282 C ATOM 7 C LIG 1 -0.407 -1.030 -0.135 0.00 0.00 +0.173 C ATOM 8 C LIG 1 -1.090 -4.546 -1.125 0.00 0.00 +0.158 C ATOM 9 N LIG 1 0.433 -1.897 0.844 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 0.570 -0.147 -0.936 0.00 0.00 -0.008 A ATOM 11 C LIG 1 1.587 0.546 -0.243 0.00 0.00 +0.015 A ATOM 12 C LIG 1 2.510 1.385 -0.895 0.00 0.00 -0.013 A ATOM 13 C LIG 1 2.393 1.525 -2.285 0.00 0.00 +0.008 A ATOM 14 C LIG 1 1.389 0.861 -2.991 0.00 0.00 +0.001 A ATOM 15 C LIG 1 0.483 0.037 -2.323 0.00 0.00 +0.007 A BRANCH 12 16 ATOM 16 C LIG 1 3.550 2.100 -0.138 0.00 0.00 +0.036 A ATOM 17 C LIG 1 4.899 2.083 -0.503 0.00 0.00 +0.221 A ATOM 18 F LIG 1 5.277 1.377 -1.583 0.00 0.00 -0.183 F ATOM 19 N LIG 1 5.891 2.728 0.159 0.00 0.00 -0.227 NA ATOM 20 C LIG 1 5.530 3.431 1.250 0.00 0.00 +0.114 A ATOM 21 C LIG 1 4.229 3.522 1.709 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.231 2.848 1.006 0.00 0.00 +0.014 A ENDBRANCH 12 16 ENDBRANCH 7 10 BRANCH 7 23 ATOM 23 C LIG 1 -1.442 -0.180 0.626 0.00 0.00 -0.008 A ATOM 24 C LIG 1 -2.342 0.647 -0.068 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -3.283 1.434 0.609 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -3.343 1.415 2.000 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -2.452 0.600 2.702 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -1.513 -0.186 2.027 0.00 0.00 +0.010 A BRANCH 26 29 ATOM 29 O LIG 1 -4.201 2.125 2.789 0.00 0.00 -0.406 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.132 2.979 2.147 0.00 0.00 +0.575 C ATOM 31 F LIG 1 -5.880 3.590 3.094 0.00 0.00 -0.133 F ATOM 32 F LIG 1 -5.964 2.283 1.343 0.00 0.00 -0.133 F ATOM 33 F LIG 1 -4.505 3.937 1.431 0.00 0.00 -0.133 F ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 23 BRANCH 1 34 ATOM 34 N LIG 1 0.845 -4.183 1.081 0.00 0.00 -0.331 N ATOM 35 H LIG 1 1.517 -3.858 1.772 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 1.286 -4.845 0.454 0.00 0.00 +0.145 HD ENDBRANCH 1 34 TORSDOF 6