REMARK Name = LIG001362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.616 -0.664 -0.347 0.00 0.00 -0.482 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.332 1.153 -1.825 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.169 -0.229 -1.571 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.559 -1.045 -2.530 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.108 -0.502 -3.736 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.261 0.856 -3.994 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.868 1.677 -3.046 0.00 0.00 +0.012 A BRANCH 2 15 ATOM 8 N LIG 1 -5.594 1.566 -0.472 0.00 0.00 -0.282 N ATOM 9 C LIG 1 -5.326 2.532 0.483 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -6.089 3.043 1.279 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -3.896 2.841 0.384 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -3.168 3.794 1.070 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -1.808 3.889 0.782 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -1.217 3.032 -0.168 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -1.968 2.053 -0.852 0.00 0.00 -0.009 A ATOM 16 C LIG 1 -3.327 1.987 -0.559 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -4.378 1.081 -1.110 0.00 0.00 +0.145 C BRANCH 8 22 ATOM 18 C LIG 1 -8.358 -1.718 1.855 0.00 0.00 +0.141 C ATOM 19 N LIG 1 -8.244 -0.668 0.859 0.00 0.00 -0.244 N ATOM 20 C LIG 1 -6.948 -0.269 0.513 0.00 0.00 +0.242 C ATOM 21 O LIG 1 -5.941 -0.828 0.959 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -6.846 0.820 -0.571 0.00 0.00 +0.164 C ATOM 23 C LIG 1 -8.082 1.707 -0.555 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -9.295 0.836 -0.808 0.00 0.00 +0.099 C ATOM 25 C LIG 1 -9.417 -0.266 0.222 0.00 0.00 +0.222 C ATOM 26 O LIG 1 -10.507 -0.807 0.408 0.00 0.00 -0.275 OA ENDBRANCH 8 22 ENDBRANCH 2 15 ENDBRANCH 1 3 BRANCH 1 27 ATOM 27 C LIG 1 -1.495 -2.042 -0.011 0.00 0.00 +0.326 C BRANCH 27 28 ATOM 28 C LIG 1 -0.080 -2.468 0.383 0.00 0.00 +0.270 C ATOM 29 N LIG 1 0.667 -1.415 0.892 0.00 0.00 -0.204 N ATOM 30 H LIG 1 0.268 -0.480 0.859 0.00 0.00 +0.177 HD ATOM 31 O LIG 1 0.301 -3.628 0.256 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 N LIG 1 1.987 -1.592 1.187 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 2.637 -0.519 1.498 0.00 0.00 +0.140 C BRANCH 33 34 ATOM 34 C LIG 1 4.052 -0.613 1.790 0.00 0.00 +0.022 A ATOM 35 C LIG 1 4.965 0.461 2.048 0.00 0.00 +0.010 A ATOM 36 C LIG 1 6.242 -0.091 2.241 0.00 0.00 +0.073 A ATOM 37 C LIG 1 7.363 0.722 2.492 0.00 0.00 +0.028 A ATOM 38 C LIG 1 7.182 2.107 2.553 0.00 0.00 +0.002 A ATOM 39 C LIG 1 5.928 2.673 2.365 0.00 0.00 +0.001 A ATOM 40 N LIG 1 6.085 -1.458 2.132 0.00 0.00 -0.218 N ATOM 41 C LIG 1 4.816 1.865 2.112 0.00 0.00 +0.011 A ATOM 42 C LIG 1 4.785 -1.782 1.848 0.00 0.00 +0.122 A BRANCH 40 43 ATOM 43 S LIG 1 7.351 -2.596 2.030 0.00 0.00 +0.084 S ATOM 44 O LIG 1 8.412 -2.117 2.895 0.00 0.00 -0.148 OA ATOM 45 O LIG 1 6.742 -3.898 2.226 0.00 0.00 -0.148 OA BRANCH 43 46 ATOM 46 C LIG 1 7.870 -2.468 0.341 0.00 0.00 +0.111 A ATOM 47 C LIG 1 7.092 -3.059 -0.660 0.00 0.00 +0.029 A ATOM 48 C LIG 1 7.491 -2.951 -1.992 0.00 0.00 +0.002 A ATOM 49 C LIG 1 8.660 -2.262 -2.316 0.00 0.00 +0.000 A ATOM 50 C LIG 1 9.440 -1.685 -1.311 0.00 0.00 +0.002 A ATOM 51 C LIG 1 9.050 -1.791 0.024 0.00 0.00 +0.029 A ENDBRANCH 43 46 ENDBRANCH 40 43 ENDBRANCH 33 34 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9