REMARK Name = LIG001921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.106 -1.610 -0.838 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.158 -2.859 -1.469 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.378 -3.443 -1.884 0.00 0.00 -0.037 A ATOM 4 C LIG 1 -2.552 -2.710 -1.662 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -2.504 -1.450 -1.063 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -1.295 -0.911 -0.626 0.00 0.00 +0.069 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.381 -1.463 -0.507 0.00 0.00 +0.270 C ATOM 8 N LIG 1 1.082 -1.002 -0.391 0.00 0.00 -0.280 N ATOM 9 H LIG 1 0.992 -0.108 0.083 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.739 -2.500 -1.054 0.00 0.00 -0.268 OA BRANCH 7 14 ATOM 11 N LIG 1 5.126 0.495 0.849 0.00 0.00 -0.213 N ATOM 12 C LIG 1 4.715 -0.684 0.233 0.00 0.00 +0.074 A ATOM 13 C LIG 1 5.586 -1.835 -0.112 0.00 0.00 +0.068 C ATOM 14 C LIG 1 3.341 -0.543 0.104 0.00 0.00 +0.170 A ATOM 15 N LIG 1 2.953 0.635 0.684 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 4.028 1.232 1.167 0.00 0.00 -0.060 NA BRANCH 11 19 ATOM 17 C LIG 1 8.764 1.184 0.355 0.00 0.00 +0.122 A ATOM 18 C LIG 1 7.472 0.676 0.181 0.00 0.00 +0.077 A ATOM 19 C LIG 1 6.436 1.002 1.073 0.00 0.00 +0.112 A ATOM 20 C LIG 1 6.707 1.876 2.137 0.00 0.00 +0.146 A ATOM 21 C LIG 1 8.007 2.364 2.322 0.00 0.00 +0.051 A ATOM 22 C LIG 1 9.030 2.024 1.433 0.00 0.00 +0.049 A BRANCH 17 24 ATOM 23 C LIG 1 10.995 1.268 -0.467 0.00 0.00 +0.277 C ATOM 24 O LIG 1 9.662 0.788 -0.598 0.00 0.00 -0.495 OA ENDBRANCH 17 24 BRANCH 20 25 ATOM 25 O LIG 1 5.748 2.133 3.081 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 5.530 3.529 3.286 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 C LIG 1 -1.379 -4.832 -2.549 0.00 0.00 -0.012 C ATOM 28 C LIG 1 -2.792 -5.356 -2.895 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -0.577 -4.772 -3.866 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -0.731 -5.868 -1.604 0.00 0.00 +0.015 C ENDBRANCH 3 27 BRANCH 5 31 ATOM 31 O LIG 1 -3.699 -0.798 -0.866 0.00 0.00 -0.455 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.832 0.460 -1.397 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -4.604 1.388 -0.724 0.00 0.00 +0.092 A ATOM 34 C LIG 1 -5.342 1.304 0.538 0.00 0.00 +0.258 C ATOM 35 N LIG 1 -5.900 2.538 0.751 0.00 0.00 -0.222 N ATOM 36 C LIG 1 -5.655 3.386 -0.293 0.00 0.00 +0.255 C ATOM 37 O LIG 1 -6.042 4.528 -0.459 0.00 0.00 -0.270 OA ATOM 38 O LIG 1 -5.439 0.307 1.228 0.00 0.00 -0.269 OA ATOM 39 C LIG 1 -4.803 2.662 -1.231 0.00 0.00 +0.053 A ATOM 40 C LIG 1 -4.259 3.079 -2.431 0.00 0.00 +0.014 A ATOM 41 C LIG 1 -3.490 2.151 -3.137 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -3.284 0.851 -2.630 0.00 0.00 +0.047 A BRANCH 35 43 ATOM 43 C LIG 1 -6.846 2.853 1.811 0.00 0.00 +0.171 C ATOM 44 C LIG 1 -8.201 2.216 1.484 0.00 0.00 +0.240 C ATOM 45 O LIG 1 -8.553 1.899 0.349 0.00 0.00 -0.273 OA ATOM 46 N LIG 1 -9.064 2.074 2.549 0.00 0.00 -0.255 N ATOM 47 H LIG 1 -9.967 1.674 2.333 0.00 0.00 +0.158 HD ATOM 48 C LIG 1 -8.807 2.296 3.878 0.00 0.00 +0.219 C ATOM 49 O LIG 1 -9.665 2.091 4.731 0.00 0.00 -0.275 OA ATOM 50 C LIG 1 -7.447 2.862 4.221 0.00 0.00 +0.098 C ATOM 51 C LIG 1 -6.395 2.435 3.208 0.00 0.00 +0.041 C ENDBRANCH 35 43 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9