REMARK Name = LIG000570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.370 -1.638 -2.183 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.064 -0.775 -2.483 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.524 -1.998 -2.866 0.00 0.00 +0.234 C ATOM 4 O LIG 1 -2.374 -2.796 -2.472 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 10 ATOM 5 N LIG 1 2.432 0.080 0.746 0.00 0.00 -0.282 N ATOM 6 C LIG 1 2.436 -1.036 1.570 0.00 0.00 +0.248 C ATOM 7 O LIG 1 3.088 -1.232 2.575 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 1.488 -1.997 0.992 0.00 0.00 +0.043 A ATOM 9 C LIG 1 1.016 -1.479 -0.216 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.088 -2.186 -0.967 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -0.342 -3.423 -0.465 0.00 0.00 +0.023 A ATOM 12 C LIG 1 0.146 -3.929 0.757 0.00 0.00 +0.003 A ATOM 13 C LIG 1 1.080 -3.213 1.501 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.646 -0.145 -0.457 0.00 0.00 +0.146 C BRANCH 5 21 ATOM 15 O LIG 1 6.914 3.107 1.835 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 5.874 2.498 1.593 0.00 0.00 +0.219 C ATOM 17 N LIG 1 5.854 1.453 0.704 0.00 0.00 -0.255 N ATOM 18 H LIG 1 6.746 1.205 0.293 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 4.756 0.767 0.233 0.00 0.00 +0.240 C ATOM 20 O LIG 1 4.876 -0.043 -0.689 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 3.397 1.175 0.826 0.00 0.00 +0.163 C ATOM 22 C LIG 1 3.576 1.741 2.235 0.00 0.00 +0.041 C ATOM 23 C LIG 1 4.546 2.914 2.184 0.00 0.00 +0.098 C ENDBRANCH 5 21 ENDBRANCH 1 10 BRANCH 3 24 ATOM 24 C LIG 1 -1.716 -1.209 -4.181 0.00 0.00 +0.199 C BRANCH 24 25 ATOM 25 N LIG 1 -2.797 -0.206 -4.064 0.00 0.00 -0.320 N ATOM 26 H LIG 1 -3.570 -0.702 -3.606 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.465 0.777 -3.118 0.00 0.00 +0.124 A ATOM 28 N LIG 1 -2.865 0.536 -1.867 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -2.506 1.386 -0.893 0.00 0.00 +0.220 A ATOM 30 N LIG 1 -1.780 2.487 -1.134 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 -1.415 2.718 -2.411 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -1.709 1.872 -3.450 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 -2.890 1.071 0.397 0.00 0.00 -0.294 N ATOM 34 C LIG 1 -2.881 -0.362 0.734 0.00 0.00 +0.102 C ATOM 35 C LIG 1 -2.499 -0.399 2.228 0.00 0.00 +0.026 C ATOM 36 C LIG 1 -2.732 1.028 2.713 0.00 0.00 +0.021 C ATOM 37 C LIG 1 -2.363 1.865 1.494 0.00 0.00 +0.108 C BRANCH 34 38 ATOM 38 C LIG 1 -4.232 -1.038 0.457 0.00 0.00 +0.178 C BRANCH 38 39 ATOM 39 O LIG 1 -4.047 -2.439 0.238 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -3.545 -2.533 -0.599 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8