REMARK Name = BDB052517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.945 1.291 1.546 0.00 0.00 -0.283 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.019 0.868 2.471 0.00 0.00 +0.181 C BRANCH 2 5 ATOM 3 N LIG 1 2.878 -0.760 0.909 0.00 0.00 -0.284 N ATOM 4 H LIG 1 2.892 0.097 0.361 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 2.376 -0.599 2.187 0.00 0.00 +0.231 C ATOM 6 O LIG 1 2.240 -1.458 3.051 0.00 0.00 -0.274 OA BRANCH 3 10 ATOM 7 C LIG 1 3.537 -5.692 0.900 0.00 0.00 +0.044 C ATOM 8 C LIG 1 3.729 -4.351 0.252 0.00 0.00 -0.049 A ATOM 9 C LIG 1 3.221 -3.199 0.874 0.00 0.00 +0.027 A ATOM 10 C LIG 1 3.381 -1.929 0.300 0.00 0.00 +0.037 A ATOM 11 C LIG 1 4.077 -1.812 -0.924 0.00 0.00 -0.029 A ATOM 12 C LIG 1 4.319 -0.484 -1.590 0.00 0.00 +0.045 C ATOM 13 C LIG 1 4.595 -2.966 -1.536 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.425 -4.224 -0.950 0.00 0.00 +0.004 A ENDBRANCH 3 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 0.940 2.755 1.356 0.00 0.00 +0.159 C BRANCH 15 16 ATOM 16 C LIG 1 2.126 3.291 0.608 0.00 0.00 +0.119 A ATOM 17 O LIG 1 2.858 2.435 -0.175 0.00 0.00 -0.467 OA ATOM 18 C LIG 1 3.833 3.178 -0.764 0.00 0.00 +0.195 A ATOM 19 C LIG 1 3.749 4.493 -0.370 0.00 0.00 +0.041 A ATOM 20 C LIG 1 2.650 4.567 0.517 0.00 0.00 +0.046 A ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 1 21 ATOM 21 C LIG 1 -0.355 0.823 2.076 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 C LIG 1 -1.497 0.952 1.093 0.00 0.00 -0.033 A ATOM 23 C LIG 1 -1.451 0.283 -0.137 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -2.520 0.366 -1.029 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -3.656 1.095 -0.688 0.00 0.00 +0.122 A ATOM 26 C LIG 1 -3.691 1.813 0.504 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -2.626 1.726 1.401 0.00 0.00 +0.008 A BRANCH 25 28 ATOM 28 O LIG 1 -4.691 1.206 -1.573 0.00 0.00 -0.475 OA BRANCH 28 29 ATOM 29 C LIG 1 -5.733 0.196 -1.481 0.00 0.00 +0.200 C ATOM 30 C LIG 1 -6.455 0.220 -0.119 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -5.217 -1.207 -1.819 0.00 0.00 +0.067 C BRANCH 29 32 ATOM 32 C LIG 1 -6.762 0.590 -2.566 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -6.718 1.545 -3.329 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -7.826 -0.254 -2.648 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -8.358 0.120 -3.383 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11