REMARK Name = LIG000326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.167 -3.550 -1.747 0.00 0.00 +0.324 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 0.677 -1.969 -2.813 0.00 0.00 -0.272 OA ATOM 3 C LIG 1 1.082 -2.471 -1.768 0.00 0.00 +0.251 C ATOM 4 N LIG 1 0.577 -2.153 -0.527 0.00 0.00 -0.310 N ATOM 5 H LIG 1 1.050 -2.537 0.285 0.00 0.00 +0.149 HD BRANCH 4 6 ATOM 6 C LIG 1 -0.404 -1.104 -0.336 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 C LIG 1 -1.801 -1.478 -0.834 0.00 0.00 +0.178 C BRANCH 7 8 ATOM 8 O LIG 1 -2.718 -0.460 -0.432 0.00 0.00 -0.376 OA BRANCH 8 9 ATOM 9 C LIG 1 -4.021 -0.610 -1.005 0.00 0.00 +0.188 C BRANCH 9 10 ATOM 10 C LIG 1 -4.775 -1.860 -0.531 0.00 0.00 +0.188 C BRANCH 10 11 ATOM 11 O LIG 1 -4.787 -2.049 0.886 0.00 0.00 -0.375 OA BRANCH 11 12 ATOM 12 C LIG 1 -5.402 -1.011 1.654 0.00 0.00 +0.188 C BRANCH 12 13 ATOM 13 C LIG 1 -6.907 -0.868 1.396 0.00 0.00 +0.188 C BRANCH 13 14 ATOM 14 O LIG 1 -7.179 -0.097 0.218 0.00 0.00 -0.373 OA BRANCH 14 15 ATOM 15 C LIG 1 -7.204 1.314 0.449 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 -8.526 1.770 1.017 0.00 0.00 -0.022 A ATOM 17 C LIG 1 -8.566 2.746 2.024 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -9.789 3.188 2.534 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -10.982 2.667 2.038 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -10.956 1.706 1.029 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.735 1.264 0.518 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 4 6 ENDBRANCH 1 3 BRANCH 1 22 ATOM 22 O LIG 1 2.918 -3.600 -0.538 0.00 0.00 -0.483 OA BRANCH 22 23 ATOM 23 C LIG 1 3.944 -2.709 -0.378 0.00 0.00 +0.122 A ATOM 24 C LIG 1 4.260 -1.656 -1.242 0.00 0.00 +0.059 A ATOM 25 C LIG 1 5.338 -0.859 -0.897 0.00 0.00 +0.053 A ATOM 26 C LIG 1 5.913 0.297 -1.582 0.00 0.00 +0.255 C ATOM 27 N LIG 1 6.967 0.725 -0.820 0.00 0.00 -0.222 N ATOM 28 C LIG 1 7.127 -0.053 0.292 0.00 0.00 +0.255 C ATOM 29 O LIG 1 7.970 0.023 1.164 0.00 0.00 -0.270 OA ATOM 30 O LIG 1 5.479 0.760 -2.618 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 6.080 -1.070 0.249 0.00 0.00 +0.050 A ATOM 32 C LIG 1 5.790 -2.096 1.123 0.00 0.00 +0.017 A ATOM 33 C LIG 1 4.706 -2.919 0.796 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 34 C LIG 1 7.824 1.840 -1.198 0.00 0.00 +0.171 C ATOM 35 C LIG 1 9.246 1.326 -1.416 0.00 0.00 +0.240 C ATOM 36 O LIG 1 9.502 0.366 -2.142 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 10.247 1.963 -0.726 0.00 0.00 -0.255 N ATOM 38 H LIG 1 11.177 1.600 -0.887 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 10.115 2.659 0.446 0.00 0.00 +0.219 C ATOM 40 O LIG 1 11.099 2.920 1.133 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 8.716 3.025 0.878 0.00 0.00 +0.098 C ATOM 42 C LIG 1 7.742 3.061 -0.285 0.00 0.00 +0.041 C ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15