REMARK Name = BDB045783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.937 -0.329 0.107 0.00 0.00 +0.248 C ATOM 2 N LIG 1 0.112 -0.025 -0.741 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.124 0.316 -1.664 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.867 -0.614 1.296 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.799 -0.499 -2.377 0.00 0.00 +0.123 A ATOM 6 C LIG 1 -4.858 -0.069 -1.569 0.00 0.00 +0.069 A ATOM 7 C LIG 1 -4.662 0.272 -0.219 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -3.361 0.170 0.296 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -2.291 -0.249 -0.509 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -2.517 -0.600 -1.841 0.00 0.00 +0.058 A BRANCH 7 11 ATOM 11 N LIG 1 -5.758 0.693 0.612 0.00 0.00 -0.255 N ATOM 12 C LIG 1 -6.866 1.373 0.092 0.00 0.00 +0.313 C ATOM 13 O LIG 1 -7.056 1.673 -1.084 0.00 0.00 -0.252 OA ATOM 14 N LIG 1 -7.816 1.739 1.016 0.00 0.00 -0.240 N ATOM 15 H LIG 1 -8.601 2.252 0.640 0.00 0.00 +0.159 HD ATOM 16 C LIG 1 -8.013 1.179 2.246 0.00 0.00 +0.222 C ATOM 17 O LIG 1 -9.043 1.374 2.884 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.943 0.241 2.712 0.00 0.00 +0.115 C ATOM 19 C LIG 1 -5.627 0.624 2.067 0.00 0.00 +0.124 C ENDBRANCH 7 11 BRANCH 5 21 ATOM 20 C LIG 1 -5.152 -0.681 -4.327 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.890 -0.865 -3.693 0.00 0.00 -0.495 OA ENDBRANCH 5 21 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 C LIG 1 1.490 -0.052 -0.440 0.00 0.00 +0.034 A ATOM 23 C LIG 1 2.019 -0.482 0.775 0.00 0.00 +0.025 A ATOM 24 C LIG 1 3.405 -0.484 0.995 0.00 0.00 +0.025 A ATOM 25 C LIG 1 4.282 -0.057 -0.000 0.00 0.00 +0.034 A ATOM 26 C LIG 1 3.754 0.372 -1.221 0.00 0.00 +0.025 A ATOM 27 C LIG 1 2.372 0.373 -1.440 0.00 0.00 +0.025 A BRANCH 25 28 ATOM 28 N LIG 1 5.678 -0.029 0.143 0.00 0.00 -0.280 N ATOM 29 H LIG 1 6.232 0.301 -0.645 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 6.438 -0.397 1.238 0.00 0.00 +0.267 C ATOM 31 O LIG 1 6.035 -0.826 2.312 0.00 0.00 -0.268 OA BRANCH 30 32 ATOM 32 C LIG 1 7.911 -0.223 1.003 0.00 0.00 +0.126 A ATOM 33 N LIG 1 8.269 0.261 -0.223 0.00 0.00 -0.250 NA ATOM 34 C LIG 1 9.593 0.420 -0.439 0.00 0.00 +0.111 A ATOM 35 C LIG 1 10.570 0.123 0.500 0.00 0.00 +0.020 A ATOM 36 C LIG 1 10.174 -0.368 1.741 0.00 0.00 +0.004 A ATOM 37 C LIG 1 8.819 -0.546 2.003 0.00 0.00 +0.033 A ENDBRANCH 30 32 ENDBRANCH 25 28 ENDBRANCH 2 22 TORSDOF 6