REMARK Name = LIG000575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 P LIG 1 -0.430 0.140 -2.926 0.00 0.00 +0.483 P ATOM 2 O LIG 1 0.574 -0.047 -4.019 0.00 0.00 -0.227 OA ENDROOT BRANCH 1 3 ATOM 3 O LIG 1 -1.449 -1.084 -2.785 0.00 0.00 -0.302 OA ATOM 4 H LIG 1 -1.899 -1.122 -1.907 0.00 0.00 +0.222 HD ENDBRANCH 1 3 BRANCH 1 5 ATOM 5 O LIG 1 -1.332 1.435 -3.051 0.00 0.00 -0.186 OA BRANCH 5 6 ATOM 6 P LIG 1 -2.207 2.110 -1.923 0.00 0.00 +0.486 P ATOM 7 O LIG 1 -1.484 2.695 -0.756 0.00 0.00 -0.227 OA BRANCH 6 8 ATOM 8 O LIG 1 -2.999 3.246 -2.733 0.00 0.00 -0.302 OA ATOM 9 H LIG 1 -2.475 4.064 -2.803 0.00 0.00 +0.222 HD ENDBRANCH 6 8 BRANCH 6 10 ATOM 10 O LIG 1 -3.366 1.064 -1.589 0.00 0.00 -0.254 OA BRANCH 10 11 ATOM 11 C LIG 1 -3.702 0.884 -0.225 0.00 0.00 +0.293 C ATOM 12 C LIG 1 -2.632 -0.011 0.449 0.00 0.00 +0.202 C ATOM 13 C LIG 1 -3.060 -0.389 1.877 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -4.482 -0.970 1.862 0.00 0.00 +0.177 C ATOM 15 C LIG 1 -5.436 0.028 1.171 0.00 0.00 +0.178 C ATOM 16 O LIG 1 -4.993 0.259 -0.179 0.00 0.00 -0.340 OA BRANCH 14 17 ATOM 17 O LIG 1 -4.430 -2.220 1.153 0.00 0.00 -0.386 OA ATOM 18 H LIG 1 -5.364 -2.485 0.987 0.00 0.00 +0.210 HD ENDBRANCH 14 17 BRANCH 13 19 ATOM 19 O LIG 1 -3.015 0.753 2.732 0.00 0.00 -0.386 OA ATOM 20 H LIG 1 -2.076 0.981 2.871 0.00 0.00 +0.210 HD ENDBRANCH 13 19 BRANCH 12 21 ATOM 21 O LIG 1 -2.414 -1.192 -0.358 0.00 0.00 -0.384 OA ATOM 22 H LIG 1 -3.144 -1.813 -0.114 0.00 0.00 +0.210 HD ENDBRANCH 12 21 BRANCH 15 23 ATOM 23 C LIG 1 -6.870 -0.505 1.089 0.00 0.00 +0.190 C BRANCH 23 24 ATOM 24 O LIG 1 -6.904 -1.713 0.325 0.00 0.00 -0.392 OA ATOM 25 H LIG 1 -6.619 -1.450 -0.576 0.00 0.00 +0.210 HD ENDBRANCH 23 24 ENDBRANCH 15 23 ENDBRANCH 10 11 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 26 ATOM 26 O LIG 1 0.230 0.198 -1.466 0.00 0.00 -0.284 OA BRANCH 26 27 ATOM 27 C LIG 1 1.218 -0.786 -1.160 0.00 0.00 +0.206 C BRANCH 27 31 ATOM 28 C LIG 1 4.429 0.727 -0.441 0.00 0.00 +0.255 C ATOM 29 C LIG 1 4.951 -0.476 -1.260 0.00 0.00 +0.195 C ATOM 30 C LIG 1 3.706 -1.329 -1.450 0.00 0.00 +0.178 C ATOM 31 C LIG 1 2.610 -0.269 -1.518 0.00 0.00 +0.178 C ATOM 32 O LIG 1 2.997 0.778 -0.600 0.00 0.00 -0.346 OA BRANCH 28 39 ATOM 33 O LIG 1 5.956 0.446 4.802 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 5.600 0.519 3.632 0.00 0.00 +0.254 A ATOM 35 N LIG 1 6.394 1.016 2.641 0.00 0.00 -0.275 N ATOM 36 H LIG 1 7.318 1.323 2.901 0.00 0.00 +0.173 HD ATOM 37 C LIG 1 6.069 1.096 1.313 0.00 0.00 +0.331 A ATOM 38 O LIG 1 6.889 1.513 0.498 0.00 0.00 -0.246 OA ATOM 39 N LIG 1 4.789 0.672 0.976 0.00 0.00 -0.271 N ATOM 40 C LIG 1 3.932 0.149 1.925 0.00 0.00 +0.098 A ATOM 41 C LIG 1 4.270 0.056 3.212 0.00 0.00 +0.088 A ENDBRANCH 28 39 BRANCH 30 42 ATOM 42 O LIG 1 3.518 -2.206 -0.338 0.00 0.00 -0.386 OA ATOM 43 H LIG 1 4.220 -2.882 -0.386 0.00 0.00 +0.210 HD ENDBRANCH 30 42 BRANCH 29 44 ATOM 44 O LIG 1 5.464 -0.092 -2.543 0.00 0.00 -0.385 OA ATOM 45 H LIG 1 4.949 0.661 -2.886 0.00 0.00 +0.210 HD ENDBRANCH 29 44 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 17