REMARK Name = LIG000568 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.263 1.621 0.349 0.00 0.00 +0.078 C ATOM 2 C LIG 1 -1.543 0.141 0.066 0.00 0.00 +0.028 C ATOM 3 C LIG 1 -2.712 -0.370 0.908 0.00 0.00 +0.085 C ATOM 4 N LIG 1 -3.930 0.424 0.676 0.00 0.00 -0.296 NA ATOM 5 C LIG 1 -3.692 1.839 1.007 0.00 0.00 +0.085 C ATOM 6 C LIG 1 -2.561 2.418 0.158 0.00 0.00 +0.028 C ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 3.946 1.105 0.140 0.00 0.00 -0.327 N ATOM 8 C LIG 1 3.485 1.434 -1.233 0.00 0.00 +0.124 C ATOM 9 C LIG 1 2.197 2.275 -1.184 0.00 0.00 +0.126 C ATOM 10 N LIG 1 1.147 1.694 -0.334 0.00 0.00 -0.298 N ATOM 11 C LIG 1 -0.154 2.140 -0.567 0.00 0.00 +0.219 C ATOM 12 O LIG 1 -0.415 2.894 -1.507 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 1.621 1.258 0.989 0.00 0.00 +0.126 C ATOM 14 C LIG 1 2.906 0.411 0.922 0.00 0.00 +0.124 C BRANCH 7 18 ATOM 15 C LIG 1 7.980 -0.299 0.289 0.00 0.00 +0.034 A ATOM 16 C LIG 1 7.651 0.950 -0.233 0.00 0.00 +0.025 A ATOM 17 C LIG 1 6.320 1.395 -0.270 0.00 0.00 +0.025 A ATOM 18 C LIG 1 5.257 0.605 0.190 0.00 0.00 +0.030 A ATOM 19 C LIG 1 5.592 -0.648 0.713 0.00 0.00 +0.025 A ATOM 20 C LIG 1 6.924 -1.093 0.754 0.00 0.00 +0.025 A BRANCH 15 21 ATOM 21 N LIG 1 9.277 -0.817 0.333 0.00 0.00 -0.284 N ATOM 22 H LIG 1 9.415 -1.649 0.885 0.00 0.00 +0.155 HD BRANCH 21 29 ATOM 23 C LIG 1 14.272 -2.413 0.791 0.00 0.00 +0.152 C ATOM 24 N LIG 1 13.970 -1.251 -0.002 0.00 0.00 -0.315 N ATOM 25 C LIG 1 12.732 -0.714 -0.212 0.00 0.00 +0.165 A ATOM 26 C LIG 1 12.958 0.383 -1.023 0.00 0.00 +0.126 A ATOM 27 C LIG 1 11.833 1.111 -1.377 0.00 0.00 +0.146 A ATOM 28 N LIG 1 10.616 0.717 -0.920 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 10.515 -0.376 -0.132 0.00 0.00 +0.221 A ATOM 30 N LIG 1 14.293 0.520 -1.312 0.00 0.00 -0.229 NA ATOM 31 N LIG 1 11.552 -1.146 0.261 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 14.880 -0.475 -0.677 0.00 0.00 +0.115 A BRANCH 32 33 ATOM 33 C LIG 1 16.417 -0.716 -0.717 0.00 0.00 +0.055 C ATOM 34 C LIG 1 17.236 -0.392 0.505 0.00 0.00 +0.012 C ATOM 35 C LIG 1 17.340 0.475 -0.715 0.00 0.00 +0.012 C ENDBRANCH 32 33 ENDBRANCH 21 29 ENDBRANCH 15 21 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 4 36 ATOM 36 C LIG 1 -5.020 -0.100 1.532 0.00 0.00 +0.091 C ATOM 37 C LIG 1 -5.578 -1.427 0.966 0.00 0.00 +0.125 C ATOM 38 N LIG 1 -6.888 -0.881 1.216 0.00 0.00 -0.327 N ATOM 39 C LIG 1 -6.393 0.469 1.105 0.00 0.00 +0.125 C BRANCH 38 40 ATOM 40 C LIG 1 -8.121 -1.368 0.733 0.00 0.00 +0.031 A ATOM 41 C LIG 1 -9.227 -0.511 0.619 0.00 0.00 +0.037 A ATOM 42 C LIG 1 -10.415 -1.042 0.154 0.00 0.00 +0.051 A ATOM 43 C LIG 1 -11.711 -0.408 -0.066 0.00 0.00 +0.255 C ATOM 44 N LIG 1 -12.546 -1.373 -0.555 0.00 0.00 -0.222 N ATOM 45 C LIG 1 -11.915 -2.586 -0.634 0.00 0.00 +0.254 C ATOM 46 O LIG 1 -12.351 -3.654 -1.016 0.00 0.00 -0.270 OA ATOM 47 O LIG 1 -11.954 0.756 0.183 0.00 0.00 -0.270 OA ATOM 48 C LIG 1 -10.541 -2.374 -0.185 0.00 0.00 +0.050 A ATOM 49 C LIG 1 -9.486 -3.254 -0.076 0.00 0.00 +0.015 A ATOM 50 C LIG 1 -8.271 -2.737 0.392 0.00 0.00 +0.024 A BRANCH 44 51 ATOM 51 C LIG 1 -13.957 -1.187 -0.863 0.00 0.00 +0.171 C ATOM 52 C LIG 1 -14.718 -0.898 0.432 0.00 0.00 +0.240 C ATOM 53 O LIG 1 -14.545 -1.539 1.468 0.00 0.00 -0.273 OA ATOM 54 N LIG 1 -15.625 0.129 0.395 0.00 0.00 -0.255 N ATOM 55 H LIG 1 -16.138 0.276 1.254 0.00 0.00 +0.158 HD ATOM 56 C LIG 1 -15.518 1.256 -0.376 0.00 0.00 +0.219 C ATOM 57 O LIG 1 -16.159 2.267 -0.099 0.00 0.00 -0.275 OA ATOM 58 C LIG 1 -14.531 1.218 -1.516 0.00 0.00 +0.098 C ATOM 59 C LIG 1 -14.248 -0.196 -1.991 0.00 0.00 +0.041 C ENDBRANCH 44 51 ENDBRANCH 38 40 ENDBRANCH 4 36 TORSDOF 8