REMARK Name = LIG000912 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.841 2.688 1.722 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -2.620 2.248 1.249 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.613 3.244 0.875 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.685 2.763 -0.255 0.00 0.00 +0.124 C ATOM 5 N LIG 1 -0.067 1.455 0.046 0.00 0.00 -0.327 N ATOM 6 C LIG 1 -0.652 0.678 1.148 0.00 0.00 +0.124 C ATOM 7 C LIG 1 -2.183 0.846 1.197 0.00 0.00 +0.127 C ATOM 8 O LIG 1 -4.107 3.873 1.902 0.00 0.00 -0.271 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 1.179 1.143 -0.479 0.00 0.00 +0.030 A ATOM 10 C LIG 1 1.610 1.672 -1.706 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.861 1.357 -2.262 0.00 0.00 +0.012 A ATOM 12 C LIG 1 3.735 0.488 -1.605 0.00 0.00 +0.001 A ATOM 13 C LIG 1 3.323 -0.046 -0.381 0.00 0.00 +0.012 A ATOM 14 C LIG 1 2.070 0.273 0.165 0.00 0.00 +0.024 A BRANCH 12 15 ATOM 15 C LIG 1 5.046 0.128 -2.143 0.00 0.00 +0.080 A ATOM 16 N LIG 1 5.997 -0.491 -1.344 0.00 0.00 -0.225 NA ATOM 17 C LIG 1 7.106 -0.750 -2.006 0.00 0.00 +0.161 A ATOM 18 S LIG 1 7.050 -0.229 -3.659 0.00 0.00 -0.060 S ATOM 19 C LIG 1 5.451 0.337 -3.444 0.00 0.00 +0.076 A BRANCH 17 20 ATOM 20 N LIG 1 8.204 -1.335 -1.431 0.00 0.00 -0.305 N ATOM 21 C LIG 1 9.075 -2.196 -2.254 0.00 0.00 +0.135 C ATOM 22 C LIG 1 10.370 -2.533 -1.498 0.00 0.00 +0.179 C ATOM 23 O LIG 1 10.102 -3.122 -0.218 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 9.343 -2.209 0.588 0.00 0.00 +0.179 C ATOM 25 C LIG 1 7.998 -1.866 -0.067 0.00 0.00 +0.135 C ENDBRANCH 17 20 ENDBRANCH 12 15 ENDBRANCH 5 9 BRANCH 1 27 ATOM 26 C LIG 1 -5.843 1.910 2.865 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -4.866 1.648 1.986 0.00 0.00 +0.071 C BRANCH 26 28 ATOM 28 C LIG 1 -6.899 0.928 3.210 0.00 0.00 +0.186 C ATOM 29 O LIG 1 -7.284 0.836 4.371 0.00 0.00 -0.287 OA BRANCH 28 33 ATOM 30 C LIG 1 -8.600 -1.649 0.230 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -8.403 -2.093 1.541 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -7.853 -1.246 2.506 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -7.479 0.055 2.158 0.00 0.00 +0.022 A ATOM 34 C LIG 1 -7.692 0.511 0.852 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -8.246 -0.343 -0.110 0.00 0.00 +0.046 A BRANCH 30 37 ATOM 36 C LIG 1 -9.427 -2.162 -1.940 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -9.144 -2.580 -0.610 0.00 0.00 -0.495 OA ENDBRANCH 30 37 ENDBRANCH 28 33 ENDBRANCH 26 28 ENDBRANCH 1 27 TORSDOF 7