REMARK Name = LIG000347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.881 -0.141 -0.991 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.174 0.820 -1.600 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.157 0.805 -1.408 0.00 0.00 +0.137 A ATOM 4 N LIG 1 -1.819 -0.121 -0.689 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 -1.103 -1.094 -0.120 0.00 0.00 +0.124 A ATOM 6 C LIG 1 0.271 -1.133 -0.250 0.00 0.00 +0.087 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.265 -0.108 -1.201 0.00 0.00 -0.299 N ATOM 8 H LIG 1 2.467 0.676 -1.816 0.00 0.00 +0.154 HD BRANCH 7 11 ATOM 9 C LIG 1 5.728 -0.846 -0.073 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.614 -0.557 -0.877 0.00 0.00 +0.035 A ATOM 11 C LIG 1 3.334 -0.381 -0.325 0.00 0.00 +0.033 A ATOM 12 C LIG 1 3.189 -0.495 1.061 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.287 -0.780 1.875 0.00 0.00 +0.002 A ATOM 14 C LIG 1 5.550 -0.957 1.311 0.00 0.00 +0.012 A BRANCH 9 18 ATOM 15 C LIG 1 10.448 -1.637 -0.784 0.00 0.00 +0.199 C ATOM 16 N LIG 1 9.052 -1.370 -0.998 0.00 0.00 -0.166 N ATOM 17 N LIG 1 8.167 -1.313 0.011 0.00 0.00 -0.131 NA ATOM 18 C LIG 1 7.043 -1.027 -0.673 0.00 0.00 +0.205 A ATOM 19 N LIG 1 7.270 -0.916 -2.028 0.00 0.00 -0.108 NA ATOM 20 N LIG 1 8.562 -1.135 -2.223 0.00 0.00 -0.046 NA ENDBRANCH 9 18 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 5 21 ATOM 21 N LIG 1 -1.716 -2.077 0.663 0.00 0.00 -0.326 N ATOM 22 H LIG 1 -1.383 -2.993 0.374 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.166 -2.075 0.890 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -3.995 -2.297 -0.388 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -4.954 -1.145 -0.685 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -5.847 -0.767 0.506 0.00 0.00 +0.051 C ATOM 27 C LIG 1 -5.149 -0.904 1.869 0.00 0.00 +0.020 C ATOM 28 C LIG 1 -3.629 -0.887 1.746 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 N LIG 1 -7.077 -1.563 0.522 0.00 0.00 -0.327 NA ATOM 30 H LIG 1 -7.577 -1.435 -0.357 0.00 0.00 +0.118 HD ATOM 31 H LIG 1 -6.851 -2.556 0.572 0.00 0.00 +0.118 HD ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 5 21 BRANCH 3 32 ATOM 32 C LIG 1 -1.970 1.910 -2.038 0.00 0.00 +0.111 C BRANCH 32 33 ATOM 33 C LIG 1 -2.231 3.071 -1.107 0.00 0.00 -0.040 A ATOM 34 C LIG 1 -1.322 4.136 -1.025 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -1.556 5.200 -0.153 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.696 5.208 0.649 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.601 4.150 0.583 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.369 3.086 -0.288 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 8