REMARK Name = LIG000874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.679 -0.047 0.600 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -2.879 0.560 0.176 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.845 0.875 1.118 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -5.174 1.528 0.940 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -5.733 1.490 2.285 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.809 1.042 3.217 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.905 1.018 4.428 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.630 0.598 2.465 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.470 0.011 2.928 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.494 -0.313 1.981 0.00 0.00 +0.009 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.950 2.223 2.620 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.632 3.669 3.032 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.684 4.311 2.582 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.550 4.275 3.859 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.358 5.238 4.101 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.748 3.773 4.300 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.542 4.479 4.916 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.074 2.351 3.908 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.809 1.538 3.682 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 23 ATOM 20 C LIG 1 1.379 -1.075 -2.247 0.00 0.00 +0.121 A ATOM 21 C LIG 1 0.892 0.230 -2.168 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -0.102 0.567 -1.244 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -0.632 -0.397 -0.374 0.00 0.00 -0.018 A ATOM 24 C LIG 1 -0.134 -1.706 -0.463 0.00 0.00 +0.012 A ATOM 25 C LIG 1 0.862 -2.044 -1.390 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 2.347 -1.268 -3.193 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 2.887 -2.589 -3.311 0.00 0.00 +0.248 C BRANCH 27 28 ATOM 28 C LIG 1 3.962 -2.571 -4.400 0.00 0.00 +0.148 C BRANCH 28 30 ATOM 29 C LIG 1 6.061 -2.279 -3.153 0.00 0.00 +0.401 C ATOM 30 N LIG 1 5.125 -1.796 -4.016 0.00 0.00 -0.278 N ATOM 31 H LIG 1 5.103 -0.790 -4.112 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 6.102 -3.429 -2.746 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 6.901 -1.276 -2.818 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 7.469 -1.899 -0.503 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.992 -1.503 -1.889 0.00 0.00 +0.107 C ATOM 36 C LIG 1 8.989 -2.528 -2.439 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.698 -0.143 -1.776 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 23 TORSDOF 8