REMARK Name = LIG000328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 -3.087 -2.152 0.00 0.00 +0.199 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.854 -2.289 -2.054 0.00 0.00 -0.284 N ATOM 3 H LIG 1 -2.433 -1.924 -1.199 0.00 0.00 +0.155 HD ATOM 4 C LIG 1 -1.948 -2.994 -2.829 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -2.160 -3.514 -3.919 0.00 0.00 -0.274 OA BRANCH 2 11 ATOM 6 N LIG 1 -5.634 0.193 0.267 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -6.719 -0.046 -0.556 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -7.869 0.317 -0.414 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -6.239 -0.882 -1.661 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -4.899 -1.197 -1.427 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -4.197 -1.988 -2.325 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -4.884 -2.445 -3.458 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -6.239 -2.119 -3.677 0.00 0.00 +0.003 A ATOM 14 C LIG 1 -6.935 -1.327 -2.768 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.467 -0.575 -0.140 0.00 0.00 +0.146 C BRANCH 6 22 ATOM 16 O LIG 1 -9.317 1.915 3.320 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -8.255 1.626 2.773 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -7.594 0.474 3.108 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -8.079 -0.127 3.759 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -6.440 -0.035 2.571 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -6.060 -1.170 2.860 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -5.686 0.844 1.572 0.00 0.00 +0.163 C ATOM 23 C LIG 1 -6.145 2.301 1.569 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -7.644 2.492 1.701 0.00 0.00 +0.098 C ENDBRANCH 6 22 ENDBRANCH 2 11 ENDBRANCH 1 4 BRANCH 1 25 ATOM 25 N LIG 1 -0.460 -2.138 -1.022 0.00 0.00 -0.320 N ATOM 26 H LIG 1 0.074 -2.543 -0.248 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 0.229 -0.953 -1.304 0.00 0.00 +0.124 A ATOM 28 N LIG 1 1.200 -0.647 -0.434 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 1.894 0.493 -0.609 0.00 0.00 +0.220 A ATOM 30 N LIG 1 1.635 1.338 -1.617 0.00 0.00 -0.223 NA ATOM 31 C LIG 1 0.646 1.015 -2.466 0.00 0.00 +0.118 A ATOM 32 C LIG 1 -0.101 -0.128 -2.353 0.00 0.00 +0.063 A BRANCH 29 33 ATOM 33 N LIG 1 2.883 0.814 0.304 0.00 0.00 -0.297 N ATOM 34 C LIG 1 3.366 -0.291 1.143 0.00 0.00 +0.127 C ATOM 35 C LIG 1 4.615 0.108 1.960 0.00 0.00 +0.124 C ATOM 36 N LIG 1 5.704 0.579 1.083 0.00 0.00 -0.327 N ATOM 37 C LIG 1 5.294 1.264 -0.162 0.00 0.00 +0.124 C ATOM 38 C LIG 1 3.865 1.844 -0.059 0.00 0.00 +0.127 C BRANCH 36 39 ATOM 39 C LIG 1 7.031 0.534 1.474 0.00 0.00 +0.030 A ATOM 40 C LIG 1 8.076 0.632 0.540 0.00 0.00 +0.035 A ATOM 41 C LIG 1 9.434 0.579 0.913 0.00 0.00 +0.057 A ATOM 42 C LIG 1 9.761 0.437 2.264 0.00 0.00 +0.012 A ATOM 43 C LIG 1 8.750 0.332 3.212 0.00 0.00 +0.002 A ATOM 44 C LIG 1 7.408 0.377 2.817 0.00 0.00 +0.023 A BRANCH 41 45 ATOM 45 C LIG 1 10.509 0.706 -0.135 0.00 0.00 +0.417 C ATOM 46 F LIG 1 10.195 0.073 -1.300 0.00 0.00 -0.166 F ATOM 47 F LIG 1 10.754 2.003 -0.470 0.00 0.00 -0.166 F ATOM 48 F LIG 1 11.708 0.189 0.255 0.00 0.00 -0.166 F ENDBRANCH 41 45 ENDBRANCH 36 39 ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8