REMARK Name = LIG000340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.919 0.267 -0.411 0.00 0.00 +0.219 A ATOM 2 N LIG 1 1.202 1.393 -1.085 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 0.122 1.912 -1.687 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.165 1.407 -1.671 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -2.021 2.217 -2.388 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.260 3.192 -2.839 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.366 0.220 -0.948 0.00 0.00 +0.152 A ATOM 8 N LIG 1 0.045 3.051 -2.443 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.290 -0.321 -0.317 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.149 3.948 -2.751 0.00 0.00 +0.084 C ATOM 11 C LIG 1 0.950 5.320 -2.106 0.00 0.00 +0.030 C ATOM 12 C LIG 1 1.379 4.070 -4.257 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 2.008 -0.301 0.244 0.00 0.00 -0.305 N ATOM 14 H LIG 1 2.826 0.085 -0.222 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 1.980 -1.772 0.242 0.00 0.00 +0.200 C BRANCH 15 18 ATOM 16 N LIG 1 3.850 -1.424 1.762 0.00 0.00 -0.314 N ATOM 17 H LIG 1 3.386 -0.527 1.869 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 3.243 -2.325 0.916 0.00 0.00 +0.230 C ATOM 19 O LIG 1 3.654 -3.467 0.729 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 5.097 -1.698 2.446 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 5.702 -0.445 3.086 0.00 0.00 +0.057 C BRANCH 21 23 ATOM 22 C LIG 1 7.192 0.495 1.243 0.00 0.00 +0.123 A ATOM 23 C LIG 1 6.062 0.624 2.071 0.00 0.00 -0.004 A ATOM 24 C LIG 1 5.232 1.750 1.935 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.517 2.732 0.989 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.636 2.602 0.174 0.00 0.00 +0.004 A ATOM 27 C LIG 1 7.473 1.490 0.301 0.00 0.00 +0.046 A BRANCH 22 29 ATOM 28 C LIG 1 9.005 -0.875 0.517 0.00 0.00 +0.277 C ATOM 29 O LIG 1 7.954 -0.626 1.441 0.00 0.00 -0.495 OA ENDBRANCH 22 29 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 30 ATOM 30 N LIG 1 -2.620 -0.394 -0.882 0.00 0.00 -0.323 N ATOM 31 H LIG 1 -3.348 0.256 -1.170 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.884 -1.104 0.353 0.00 0.00 +0.138 C BRANCH 32 33 ATOM 33 C LIG 1 -4.325 -1.558 0.368 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -5.265 -0.942 1.201 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -6.600 -1.366 1.205 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -7.040 -2.416 0.379 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.086 -3.010 -0.467 0.00 0.00 +0.010 A ATOM 38 C LIG 1 -4.751 -2.593 -0.471 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -8.444 -2.881 0.377 0.00 0.00 +0.071 A ATOM 40 N LIG 1 -8.911 -3.349 -0.810 0.00 0.00 -0.255 NA ATOM 41 C LIG 1 -10.189 -3.784 -0.863 0.00 0.00 +0.111 A ATOM 42 C LIG 1 -11.047 -3.790 0.222 0.00 0.00 +0.020 A ATOM 43 C LIG 1 -10.564 -3.322 1.435 0.00 0.00 +0.004 A ATOM 44 C LIG 1 -9.250 -2.863 1.516 0.00 0.00 +0.028 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 TORSDOF 12