REMARK Name = LIG001062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.443 -0.953 0.800 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -6.246 -0.012 1.423 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -7.459 0.034 1.471 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -5.349 0.979 2.027 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.034 0.664 1.670 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -2.978 1.456 2.106 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -3.297 2.557 2.915 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -4.630 2.857 3.265 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -5.679 2.062 2.815 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.045 -0.552 0.803 0.00 0.00 +0.146 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.540 -3.855 -2.717 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.835 -3.270 -1.899 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.247 -2.068 -2.205 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.457 -1.695 -3.121 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.299 -1.385 -1.480 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.714 -0.421 -1.973 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.936 -1.982 -0.111 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.104 -2.796 0.447 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.493 -3.871 -0.556 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 N LIG 1 -1.664 1.123 1.711 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -1.565 0.324 1.100 0.00 0.00 +0.155 HD ATOM 22 C LIG 1 -0.484 1.775 2.063 0.00 0.00 +0.243 C ATOM 23 O LIG 1 -0.393 2.749 2.803 0.00 0.00 -0.273 OA BRANCH 22 24 ATOM 24 C LIG 1 0.742 1.120 1.400 0.00 0.00 +0.255 C BRANCH 24 25 ATOM 25 O LIG 1 1.978 1.692 1.796 0.00 0.00 -0.368 OA BRANCH 25 26 ATOM 26 C LIG 1 3.082 1.089 1.126 0.00 0.00 +0.188 C BRANCH 26 27 ATOM 27 C LIG 1 4.378 1.745 1.594 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 O LIG 1 5.492 1.160 0.923 0.00 0.00 -0.375 OA BRANCH 28 29 ATOM 29 C LIG 1 6.174 2.044 0.029 0.00 0.00 +0.188 C BRANCH 29 30 ATOM 30 C LIG 1 5.348 2.446 -1.200 0.00 0.00 +0.188 C BRANCH 30 31 ATOM 31 O LIG 1 4.874 1.330 -1.960 0.00 0.00 -0.373 OA BRANCH 31 32 ATOM 32 C LIG 1 5.816 0.816 -2.903 0.00 0.00 +0.195 C BRANCH 32 33 ATOM 33 C LIG 1 6.659 -0.310 -2.356 0.00 0.00 -0.022 A ATOM 34 C LIG 1 6.137 -1.229 -1.435 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.918 -2.284 -0.961 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.226 -2.442 -1.415 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.752 -1.547 -2.344 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.972 -0.489 -2.816 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 6 20 TORSDOF 12