REMARK Name = LIG000772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.869 -0.262 2.296 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -3.124 -0.457 1.728 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -3.671 0.032 0.427 0.00 0.00 +0.145 C ATOM 4 N LIG 1 -4.987 -0.589 0.371 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -5.303 -1.237 1.556 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -6.361 -1.735 1.887 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -4.098 -1.204 2.392 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -3.889 -1.783 3.628 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.637 -1.605 4.212 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.641 -0.857 3.553 0.00 0.00 +0.009 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.963 -0.203 -0.642 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.801 0.999 -0.178 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.375 1.876 0.573 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.047 1.121 -0.749 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.583 1.930 -0.468 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.608 0.336 -1.725 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.680 0.639 -2.241 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.800 -0.854 -2.187 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.870 -1.349 -1.091 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 23 ATOM 20 C LIG 1 1.191 2.016 0.328 0.00 0.00 +0.121 A ATOM 21 C LIG 1 0.039 2.641 0.811 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -0.959 1.903 1.455 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -0.825 0.520 1.629 0.00 0.00 -0.017 A ATOM 24 C LIG 1 0.338 -0.098 1.148 0.00 0.00 +0.012 A ATOM 25 C LIG 1 1.337 0.641 0.502 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 2.081 2.860 -0.275 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 3.263 2.301 -0.851 0.00 0.00 +0.248 C BRANCH 27 28 ATOM 28 C LIG 1 4.377 2.179 0.192 0.00 0.00 +0.148 C BRANCH 28 30 ATOM 29 C LIG 1 5.741 0.317 -0.659 0.00 0.00 +0.401 C ATOM 30 N LIG 1 5.601 1.636 -0.351 0.00 0.00 -0.278 N ATOM 31 H LIG 1 6.408 2.224 -0.508 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 4.862 -0.521 -0.532 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 6.990 0.110 -1.129 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 7.394 -2.197 -0.363 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.416 -1.215 -1.540 0.00 0.00 +0.107 C ATOM 36 C LIG 1 6.589 -1.723 -2.726 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.871 -1.032 -1.999 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