REMARK Name = LIG000149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.226 1.790 -0.203 0.00 0.00 +0.149 C ATOM 2 C LIG 1 0.300 2.049 1.221 0.00 0.00 +0.143 A ATOM 3 C LIG 1 1.486 2.478 1.745 0.00 0.00 +0.128 A ATOM 4 N LIG 1 1.294 2.609 3.081 0.00 0.00 -0.333 N ATOM 5 H LIG 1 1.967 2.917 3.767 0.00 0.00 +0.168 HD ATOM 6 C LIG 1 -0.011 2.252 3.319 0.00 0.00 +0.198 A ATOM 7 N LIG 1 2.609 2.702 1.051 0.00 0.00 -0.304 N ATOM 8 H LIG 1 3.533 2.705 1.471 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 2.571 2.270 -0.354 0.00 0.00 +0.223 C ATOM 10 N LIG 1 -0.637 1.897 2.213 0.00 0.00 -0.231 NA ATOM 11 N LIG 1 1.274 1.871 -0.959 0.00 0.00 -0.240 NA ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 3.610 1.173 -0.545 0.00 0.00 -0.005 A ATOM 13 C LIG 1 3.407 -0.110 -0.016 0.00 0.00 +0.008 A ATOM 14 C LIG 1 4.370 -1.111 -0.176 0.00 0.00 +0.009 A ATOM 15 C LIG 1 5.566 -0.862 -0.867 0.00 0.00 -0.018 A ATOM 16 C LIG 1 5.765 0.425 -1.393 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.803 1.429 -1.234 0.00 0.00 +0.008 A BRANCH 15 18 ATOM 18 C LIG 1 6.579 -1.917 -1.037 0.00 0.00 -0.018 A ATOM 19 C LIG 1 7.916 -1.706 -0.658 0.00 0.00 +0.008 A ATOM 20 C LIG 1 8.877 -2.708 -0.818 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.519 -3.938 -1.363 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.200 -4.167 -1.747 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.239 -3.165 -1.585 0.00 0.00 +0.008 A ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 1 24 ATOM 24 N LIG 1 -1.003 1.403 -0.689 0.00 0.00 -0.298 N ATOM 25 H LIG 1 -0.898 1.211 -1.682 0.00 0.00 +0.154 HD BRANCH 24 31 ATOM 26 N LIG 1 -5.211 0.150 -0.354 0.00 0.00 -0.282 N ATOM 27 C LIG 1 -5.718 1.440 -0.284 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -6.880 1.782 -0.183 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -4.573 2.352 -0.374 0.00 0.00 +0.043 A ATOM 30 C LIG 1 -3.409 1.585 -0.433 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -2.165 2.192 -0.518 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -2.142 3.597 -0.584 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -3.326 4.359 -0.516 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -4.566 3.732 -0.409 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -3.753 0.137 -0.329 0.00 0.00 +0.146 C BRANCH 26 42 ATOM 36 O LIG 1 -6.758 -4.865 1.249 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 -6.612 -3.714 0.849 0.00 0.00 +0.219 C ATOM 38 N LIG 1 -6.445 -2.674 1.727 0.00 0.00 -0.255 N ATOM 39 H LIG 1 -6.370 -2.942 2.699 0.00 0.00 +0.158 HD ATOM 40 C LIG 1 -5.940 -1.427 1.430 0.00 0.00 +0.240 C ATOM 41 O LIG 1 -5.466 -0.727 2.321 0.00 0.00 -0.273 OA ATOM 42 C LIG 1 -6.031 -1.017 -0.050 0.00 0.00 +0.163 C ATOM 43 C LIG 1 -5.679 -2.217 -0.924 0.00 0.00 +0.041 C ATOM 44 C LIG 1 -6.633 -3.362 -0.620 0.00 0.00 +0.098 C ENDBRANCH 26 42 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 5