REMARK Name = LIG000497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.685 -0.225 -0.516 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.057 -0.892 -1.576 0.00 0.00 -0.285 N ATOM 3 C LIG 1 1.329 -1.308 -1.375 0.00 0.00 +0.166 C ATOM 4 C LIG 1 2.112 -0.076 -1.809 0.00 0.00 +0.078 C ATOM 5 C LIG 1 1.254 0.517 -2.955 0.00 0.00 +0.193 C ATOM 6 C LIG 1 -0.089 -0.251 -2.881 0.00 0.00 +0.153 C ATOM 7 O LIG 1 -0.114 0.004 0.555 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.647 -2.030 -0.046 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.764 -1.587 0.631 0.00 0.00 -0.307 N ATOM 10 H LIG 1 3.050 -0.630 0.478 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.968 -2.979 0.348 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.079 -2.112 1.954 0.00 0.00 +0.103 C ATOM 13 C LIG 1 4.545 -1.927 2.314 0.00 0.00 -0.024 A ATOM 14 C LIG 1 4.916 -2.085 3.664 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.262 -1.999 4.041 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.243 -1.752 3.083 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.888 -1.609 1.744 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.845 -2.410 4.673 0.00 0.00 +0.035 C ATOM 19 C LIG 1 2.627 -1.522 4.453 0.00 0.00 +0.007 C ATOM 20 C LIG 1 5.550 -1.708 1.359 0.00 0.00 +0.006 A ATOM 21 C LIG 1 2.142 -1.469 3.000 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -2.179 0.132 -0.704 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 C LIG 1 -2.397 1.655 -0.846 0.00 0.00 +0.018 C ATOM 24 C LIG 1 -1.920 2.490 0.363 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -2.616 3.849 0.487 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -3.066 4.389 -0.862 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -4.054 3.448 -1.550 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -3.862 1.976 -1.175 0.00 0.00 +0.006 C ENDBRANCH 22 23 BRANCH 22 30 ATOM 29 C LIG 1 -3.462 -1.674 0.390 0.00 0.00 +0.230 C ATOM 30 N LIG 1 -2.851 -0.430 0.468 0.00 0.00 -0.302 N ATOM 31 H LIG 1 -2.410 -0.206 1.353 0.00 0.00 +0.150 HD ATOM 32 O LIG 1 -3.725 -2.202 -0.687 0.00 0.00 -0.274 OA BRANCH 29 33 ATOM 33 C LIG 1 -3.719 -2.312 1.779 0.00 0.00 +0.137 C ATOM 34 C LIG 1 -2.438 -2.958 2.304 0.00 0.00 +0.034 C BRANCH 33 36 ATOM 35 C LIG 1 -4.732 -4.468 1.112 0.00 0.00 +0.101 C ATOM 36 N LIG 1 -4.905 -3.197 1.806 0.00 0.00 -0.309 NA ATOM 37 H LIG 1 -5.137 -3.397 2.778 0.00 0.00 +0.122 HD ENDBRANCH 33 36 ENDBRANCH 29 33 ENDBRANCH 22 30 ENDBRANCH 1 22 BRANCH 5 38 ATOM 38 O LIG 1 1.080 1.907 -2.670 0.00 0.00 -0.487 OA BRANCH 38 39 ATOM 39 C LIG 1 0.586 2.723 -3.648 0.00 0.00 +0.121 A ATOM 40 C LIG 1 0.390 4.048 -3.246 0.00 0.00 +0.045 A ATOM 41 C LIG 1 -0.128 4.992 -4.133 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -0.450 4.617 -5.434 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -0.251 3.300 -5.845 0.00 0.00 +0.004 A ATOM 44 C LIG 1 0.265 2.353 -4.954 0.00 0.00 +0.045 A ENDBRANCH 38 39 ENDBRANCH 5 38 TORSDOF 9