REMARK Name = BDB007809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.853 0.863 0.199 0.00 0.00 +0.168 A ATOM 2 C LIG 1 2.544 2.014 0.536 0.00 0.00 +0.172 A ATOM 3 N LIG 1 3.904 1.733 0.535 0.00 0.00 -0.204 NA ATOM 4 C LIG 1 3.992 0.468 0.181 0.00 0.00 +0.229 A ATOM 5 O LIG 1 2.776 -0.119 -0.052 0.00 0.00 -0.434 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 5.161 -0.385 -0.001 0.00 0.00 +0.046 A ATOM 7 C LIG 1 6.457 0.162 0.196 0.00 0.00 +0.015 A ATOM 8 C LIG 1 7.568 -0.670 0.014 0.00 0.00 +0.083 A ATOM 9 N LIG 1 8.698 0.075 0.258 0.00 0.00 -0.358 N ATOM 10 H LIG 1 9.641 -0.285 0.198 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 8.353 1.356 0.590 0.00 0.00 +0.084 A ATOM 12 C LIG 1 7.448 -2.010 -0.351 0.00 0.00 +0.147 A ATOM 13 F LIG 1 8.533 -2.777 -0.517 0.00 0.00 -0.203 F ATOM 14 C LIG 1 6.180 -2.544 -0.542 0.00 0.00 +0.041 A ATOM 15 C LIG 1 6.980 1.441 0.561 0.00 0.00 +0.028 A ATOM 16 C LIG 1 5.051 -1.745 -0.369 0.00 0.00 +0.017 A ENDBRANCH 4 6 BRANCH 1 20 ATOM 17 C LIG 1 -2.269 -0.351 -0.173 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -1.816 0.405 0.918 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.475 0.795 1.051 0.00 0.00 +0.013 A ATOM 20 C LIG 1 0.466 0.449 0.080 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.040 -0.308 -1.011 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -1.303 -0.693 -1.133 0.00 0.00 +0.024 A BRANCH 17 29 ATOM 23 C LIG 1 -6.178 0.625 -1.397 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -6.079 -0.293 -0.162 0.00 0.00 +0.029 C ATOM 25 N LIG 1 -6.417 -1.663 -0.620 0.00 0.00 -0.308 NA ATOM 26 H LIG 1 -7.169 -2.061 -0.060 0.00 0.00 +0.123 HD ATOM 27 C LIG 1 -5.261 -2.569 -0.574 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -3.941 -1.945 -1.073 0.00 0.00 +0.120 C ATOM 29 N LIG 1 -3.595 -0.729 -0.315 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -4.667 -0.138 0.503 0.00 0.00 +0.126 C ATOM 31 C LIG 1 -7.146 0.155 0.856 0.00 0.00 +0.029 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 2 32 ATOM 32 C LIG 1 2.028 3.343 0.843 0.00 0.00 +0.264 C ATOM 33 O LIG 1 2.646 4.180 1.494 0.00 0.00 -0.269 OA ATOM 34 N LIG 1 0.801 3.669 0.329 0.00 0.00 -0.324 N ATOM 35 H LIG 1 0.524 4.636 0.429 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 0.354 3.120 -0.392 0.00 0.00 +0.145 HD ENDBRANCH 2 32 TORSDOF 4