REMARK Name = LIG001710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.898 -0.448 -0.788 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.198 -0.063 -0.475 0.00 0.00 +0.003 A ATOM 3 C LIG 1 -3.259 -0.786 0.285 0.00 0.00 +0.146 C ATOM 4 N LIG 1 -4.345 0.180 0.351 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -4.084 1.295 -0.422 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.832 2.208 -0.706 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.704 1.169 -0.901 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.977 2.063 -1.661 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -0.684 1.688 -2.008 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -0.161 0.448 -1.586 0.00 0.00 +0.023 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.650 -0.192 0.888 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.591 -0.605 -0.243 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.348 -1.562 -0.979 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.710 0.162 -0.442 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.315 -0.128 -1.197 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.074 1.322 0.188 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.117 1.896 -0.118 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.139 1.867 1.238 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.272 0.796 1.873 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N LIG 1 -0.410 -1.718 -0.423 0.00 0.00 -0.299 N ATOM 21 H LIG 1 -0.987 -2.183 0.267 0.00 0.00 +0.154 HD BRANCH 20 24 ATOM 22 C LIG 1 3.192 -1.676 -0.048 0.00 0.00 +0.165 A ATOM 23 N LIG 1 1.930 -1.223 -0.197 0.00 0.00 -0.212 NA ATOM 24 C LIG 1 0.938 -2.124 -0.251 0.00 0.00 +0.127 A ATOM 25 C LIG 1 1.192 -3.479 -0.150 0.00 0.00 +0.063 A ATOM 26 C LIG 1 2.504 -3.850 0.023 0.00 0.00 +0.116 A ATOM 27 N LIG 1 3.516 -2.973 0.094 0.00 0.00 -0.235 NA BRANCH 22 31 ATOM 28 C LIG 1 6.246 1.369 0.233 0.00 0.00 +0.124 A ATOM 29 C LIG 1 6.531 0.149 -0.380 0.00 0.00 +0.092 A ATOM 30 C LIG 1 5.558 -0.858 -0.465 0.00 0.00 +0.134 A ATOM 31 C LIG 1 4.258 -0.662 0.034 0.00 0.00 +0.061 A ATOM 32 C LIG 1 3.993 0.585 0.639 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.971 1.584 0.746 0.00 0.00 +0.046 A BRANCH 28 35 ATOM 34 C LIG 1 7.032 3.527 0.843 0.00 0.00 +0.277 C ATOM 35 O LIG 1 7.286 2.256 0.258 0.00 0.00 -0.495 OA ENDBRANCH 28 35 BRANCH 30 36 ATOM 36 O LIG 1 5.876 -2.006 -1.151 0.00 0.00 -0.494 OA ATOM 37 C LIG 1 6.754 -2.827 -0.380 0.00 0.00 +0.277 C ENDBRANCH 30 36 ENDBRANCH 22 31 ENDBRANCH 20 24 ENDBRANCH 1 20 TORSDOF 6