REMARK Name = LIG000165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.661 2.432 2.200 0.00 0.00 +0.139 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 -4.404 0.165 -0.273 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -4.023 1.348 -0.890 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -4.575 1.941 -1.796 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -2.796 1.798 -0.225 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -2.526 0.923 0.824 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -1.415 1.117 1.625 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -0.574 2.214 1.360 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -0.868 3.085 0.284 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.994 2.883 -0.518 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.582 -0.127 0.895 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -9.637 -0.880 -1.641 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -8.454 -0.722 -1.353 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -8.082 0.095 -0.315 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.833 0.572 0.165 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.824 0.268 0.217 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -6.673 0.917 1.252 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.688 -0.495 -0.480 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -6.025 -0.736 -1.952 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -7.348 -1.478 -2.050 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 1.771 1.660 1.690 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.150 1.933 0.794 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 2.063 0.413 2.180 0.00 0.00 +0.244 C ATOM 24 O LIG 1 1.474 -0.119 3.113 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 3.119 -0.319 1.436 0.00 0.00 +0.052 C ATOM 26 C LIG 1 2.925 -1.803 1.338 0.00 0.00 +0.269 C ATOM 27 O LIG 1 3.721 -2.471 0.342 0.00 0.00 -0.487 OA ATOM 28 C LIG 1 4.903 -1.873 0.001 0.00 0.00 +0.128 A ATOM 29 C LIG 1 5.192 -0.534 0.269 0.00 0.00 +0.021 A ATOM 30 C LIG 1 6.418 -0.001 -0.145 0.00 0.00 +0.057 A ATOM 31 C LIG 1 7.353 -0.793 -0.826 0.00 0.00 +0.131 A ATOM 32 C LIG 1 7.047 -2.127 -1.097 0.00 0.00 +0.049 A ATOM 33 C LIG 1 5.822 -2.663 -0.688 0.00 0.00 +0.050 A ATOM 34 C LIG 1 4.204 0.297 0.947 0.00 0.00 +0.023 C BRANCH 31 35 ATOM 35 O LIG 1 8.503 -0.139 -1.164 0.00 0.00 -0.406 OA BRANCH 35 36 ATOM 36 C LIG 1 9.505 -0.871 -1.849 0.00 0.00 +0.575 C ATOM 37 F LIG 1 9.942 -1.911 -1.107 0.00 0.00 -0.133 F ATOM 38 F LIG 1 9.050 -1.323 -3.038 0.00 0.00 -0.133 F ATOM 39 F LIG 1 10.554 -0.052 -2.084 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 23 25 ENDBRANCH 1 21 TORSDOF 6