REMARK Name = LIG000212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.633 -0.503 0.697 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.304 0.607 0.360 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 -2.498 1.651 0.098 0.00 0.00 +0.172 A ATOM 4 C LIG 1 -1.116 1.651 0.147 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.601 2.880 -0.200 0.00 0.00 -0.230 NA ATOM 6 C LIG 1 -1.662 3.620 -0.439 0.00 0.00 +0.206 A ATOM 7 C LIG 1 -0.494 0.446 0.511 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.850 2.934 -0.276 0.00 0.00 -0.280 N ATOM 9 N LIG 1 -1.293 -0.619 0.776 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.150 3.465 -0.465 0.00 0.00 +0.087 A ATOM 11 C LIG 1 -4.489 4.747 -0.844 0.00 0.00 +0.134 A ATOM 12 N LIG 1 -5.855 4.769 -0.888 0.00 0.00 -0.272 N ATOM 13 C LIG 1 -6.697 5.889 -1.234 0.00 0.00 +0.172 C ATOM 14 N LIG 1 -6.420 3.593 -0.566 0.00 0.00 -0.178 NA ATOM 15 C LIG 1 -5.379 2.797 -0.304 0.00 0.00 +0.160 A ENDBRANCH 8 10 BRANCH 1 16 ATOM 16 N LIG 1 -3.423 -1.596 0.981 0.00 0.00 -0.308 N ATOM 17 H LIG 1 -4.368 -1.444 0.645 0.00 0.00 +0.149 HD BRANCH 16 18 ATOM 18 CA LIG 1 -2.900 -2.938 0.737 0.00 0.00 +0.098 C BRANCH 18 20 ATOM 19 C LIG 1 -3.861 -3.075 -1.686 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -2.656 -3.210 -0.764 0.00 0.00 +0.021 C ENDBRANCH 18 20 BRANCH 18 21 ATOM 21 C LIG 1 -3.864 -3.955 1.388 0.00 0.00 +0.178 C BRANCH 21 22 ATOM 22 O LIG 1 -5.203 -3.797 0.918 0.00 0.00 -0.393 OA ATOM 23 H LIG 1 -5.763 -4.371 1.468 0.00 0.00 +0.209 HD ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 N LIG 1 0.897 0.340 0.602 0.00 0.00 -0.323 N ATOM 25 H LIG 1 1.344 1.110 0.109 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 1.426 -0.974 0.292 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 C LIG 1 2.935 -0.912 0.285 0.00 0.00 -0.030 A ATOM 28 C LIG 1 3.643 -0.746 1.482 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.041 -0.681 1.482 0.00 0.00 +0.010 A ATOM 30 C LIG 1 5.779 -0.770 0.289 0.00 0.00 +0.000 A ATOM 31 C LIG 1 5.052 -0.940 -0.904 0.00 0.00 +0.010 A ATOM 32 C LIG 1 3.654 -1.004 -0.911 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 7.256 -0.697 0.267 0.00 0.00 +0.071 A ATOM 34 N LIG 1 7.868 -1.404 -0.720 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 9.218 -1.373 -0.780 0.00 0.00 +0.111 A ATOM 36 C LIG 1 10.012 -0.659 0.097 0.00 0.00 +0.020 A ATOM 37 C LIG 1 9.385 0.071 1.096 0.00 0.00 +0.004 A ATOM 38 C LIG 1 7.993 0.054 1.183 0.00 0.00 +0.028 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 7 24 TORSDOF 10