REMARK Name = BDB043742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.299 0.716 0.479 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.930 -0.003 -0.296 0.00 0.00 -0.308 N ATOM 3 H LIG 1 2.111 0.976 -0.494 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.719 -0.409 0.210 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.444 -1.594 0.407 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.016 -0.927 -0.592 0.00 0.00 +0.102 C BRANCH 6 7 ATOM 7 C LIG 1 4.388 -0.235 -0.390 0.00 0.00 +0.146 C BRANCH 7 8 ATOM 8 O LIG 1 4.411 1.003 -1.115 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 5.338 1.319 -1.120 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 4.634 0.063 1.088 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 P LIG 1 6.346 0.364 1.484 0.00 0.00 +0.335 P ATOM 12 O LIG 1 6.650 0.618 2.929 0.00 0.00 -0.258 OA BRANCH 11 14 ATOM 13 C LIG 1 6.534 2.881 0.940 0.00 0.00 +0.204 C ATOM 14 O LIG 1 6.791 1.562 0.491 0.00 0.00 -0.311 OA ENDBRANCH 11 14 BRANCH 11 15 ATOM 15 O LIG 1 7.129 -0.907 0.866 0.00 0.00 -0.311 OA ATOM 16 C LIG 1 8.540 -0.901 0.972 0.00 0.00 +0.204 C ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 BRANCH 6 17 ATOM 17 C LIG 1 2.843 -1.604 -1.972 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 3.065 -0.771 -3.252 0.00 0.00 -0.015 C ATOM 19 C LIG 1 3.009 -1.701 -4.472 0.00 0.00 +0.007 C ATOM 20 C LIG 1 2.042 0.349 -3.434 0.00 0.00 +0.007 C ENDBRANCH 17 18 ENDBRANCH 6 17 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 N LIG 1 -1.567 0.098 0.883 0.00 0.00 -0.302 N ATOM 22 H LIG 1 -1.524 -0.889 1.128 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 -2.761 0.776 0.840 0.00 0.00 +0.234 C ATOM 24 O LIG 1 -2.814 1.960 0.509 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 C LIG 1 -4.003 -0.048 1.258 0.00 0.00 +0.166 C BRANCH 25 26 ATOM 26 N LIG 1 -5.126 0.848 1.553 0.00 0.00 -0.269 N ATOM 27 H LIG 1 -5.180 1.250 2.479 0.00 0.00 +0.153 HD ATOM 28 C LIG 1 -5.837 1.581 0.647 0.00 0.00 +0.401 C ATOM 29 O LIG 1 -6.609 2.451 1.021 0.00 0.00 -0.226 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.586 1.230 -0.633 0.00 0.00 -0.445 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.175 1.967 -1.733 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -5.634 1.278 -2.995 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -7.703 1.853 -1.731 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -5.708 3.427 -1.732 0.00 0.00 +0.055 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -4.346 -1.156 0.243 0.00 0.00 +0.067 C BRANCH 35 36 ATOM 36 C LIG 1 -3.726 -2.492 0.590 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -4.240 -3.257 1.647 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -3.659 -4.481 1.982 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -2.559 -4.951 1.267 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -2.045 -4.201 0.212 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.629 -2.981 -0.131 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 23 25 ENDBRANCH 1 21 BRANCH 1 42 ATOM 42 C LIG 1 0.217 1.753 1.486 0.00 0.00 +0.088 C BRANCH 42 43 ATOM 43 C LIG 1 0.701 1.173 2.771 0.00 0.00 +0.061 A ATOM 44 N LIG 1 2.051 1.058 3.015 0.00 0.00 -0.241 NA ATOM 45 C LIG 1 2.148 0.543 4.219 0.00 0.00 +0.196 A ATOM 46 N LIG 1 0.919 0.320 4.769 0.00 0.00 -0.351 N ATOM 47 H LIG 1 0.741 -0.064 5.686 0.00 0.00 +0.166 HD ATOM 48 C LIG 1 -0.018 0.721 3.857 0.00 0.00 +0.107 A ENDBRANCH 42 43 ENDBRANCH 1 42 TORSDOF 19