REMARK Name = LIG000032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.046 -0.086 1.056 0.00 0.00 +0.129 A ATOM 2 C LIG 1 1.839 -0.754 0.100 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.876 -2.159 0.117 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.155 -2.884 1.066 0.00 0.00 +0.001 A ATOM 5 C LIG 1 0.392 -2.213 2.017 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.341 -0.818 2.018 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.612 -0.027 -0.914 0.00 0.00 -0.009 A ATOM 8 C LIG 1 3.980 0.180 -0.790 0.00 0.00 -0.010 A ATOM 9 C LIG 1 4.910 -0.237 0.300 0.00 0.00 +0.145 C ATOM 10 N LIG 1 6.178 0.354 -0.111 0.00 0.00 -0.282 N ATOM 11 C LIG 1 6.099 0.918 -1.375 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.997 1.370 -2.057 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.690 0.859 -1.780 0.00 0.00 +0.042 A ATOM 14 C LIG 1 4.096 1.359 -2.923 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.723 1.169 -3.062 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.992 0.486 -2.070 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 7.424 0.019 0.567 0.00 0.00 +0.163 C ATOM 18 C LIG 1 8.078 -1.225 -0.054 0.00 0.00 +0.240 C ATOM 19 O LIG 1 7.441 -2.149 -0.559 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 9.443 -1.324 0.091 0.00 0.00 -0.255 N ATOM 21 H LIG 1 9.867 -2.160 -0.287 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 10.279 -0.491 0.792 0.00 0.00 +0.219 C ATOM 23 O LIG 1 11.458 -0.781 0.968 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 9.652 0.739 1.406 0.00 0.00 +0.098 C ATOM 25 C LIG 1 8.420 1.177 0.630 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 1.063 1.287 1.024 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.166 1.938 1.310 0.00 0.00 +0.326 C BRANCH 27 29 ATOM 28 O LIG 1 -1.214 1.196 -0.761 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -1.351 1.662 0.367 0.00 0.00 +0.270 C ATOM 30 N LIG 1 -2.569 2.031 0.950 0.00 0.00 -0.204 N ATOM 31 H LIG 1 -2.601 2.122 1.961 0.00 0.00 +0.177 HD BRANCH 30 32 ATOM 32 N LIG 1 -3.800 1.751 0.414 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 -3.945 1.870 -0.869 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 C LIG 1 -5.224 1.571 -1.555 0.00 0.00 -0.002 A ATOM 35 C LIG 1 -6.123 0.553 -1.169 0.00 0.00 -0.036 A ATOM 36 C LIG 1 -7.350 0.477 -1.859 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -7.644 1.327 -2.928 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.722 2.285 -3.330 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.516 2.410 -2.645 0.00 0.00 +0.010 A BRANCH 35 40 ATOM 40 C LIG 1 -5.818 -0.442 -0.054 0.00 0.00 +0.020 C ATOM 41 C LIG 1 -6.511 -0.041 1.267 0.00 0.00 +0.008 C ATOM 42 C LIG 1 -7.675 -0.960 1.624 0.00 0.00 +0.001 C ATOM 43 C LIG 1 -7.238 -2.420 1.748 0.00 0.00 +0.000 C ATOM 44 C LIG 1 -6.112 -2.807 0.789 0.00 0.00 +0.001 C ATOM 45 C LIG 1 -6.088 -1.915 -0.447 0.00 0.00 +0.008 C ENDBRANCH 35 40 ENDBRANCH 33 34 ENDBRANCH 30 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 8