REMARK Name = LIG000722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.074 1.662 -2.411 0.00 0.00 -0.012 A ATOM 2 C LIG 1 3.395 1.414 -2.052 0.00 0.00 -0.010 A ATOM 3 C LIG 1 3.991 0.236 -1.355 0.00 0.00 +0.145 C ATOM 4 N LIG 1 5.386 0.624 -1.191 0.00 0.00 -0.282 N ATOM 5 C LIG 1 5.673 1.808 -1.851 0.00 0.00 +0.248 C ATOM 6 O LIG 1 6.755 2.333 -2.027 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 4.398 2.339 -2.345 0.00 0.00 +0.042 A ATOM 8 C LIG 1 4.154 3.533 -2.995 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.836 3.804 -3.356 0.00 0.00 +0.001 A ATOM 10 C LIG 1 1.812 2.882 -3.066 0.00 0.00 +0.009 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.390 -0.336 -0.745 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.976 -1.118 -1.930 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.340 -1.388 -2.948 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.243 -1.625 -1.750 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.614 -2.169 -2.517 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.016 -1.579 -0.617 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.072 -2.203 -0.546 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.457 -0.808 0.556 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.506 0.286 0.094 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 22 ATOM 20 C LIG 1 -1.036 0.114 -0.909 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -0.002 1.014 -1.190 0.00 0.00 +0.054 A ATOM 22 C LIG 1 0.997 0.710 -2.129 0.00 0.00 -0.014 A ATOM 23 C LIG 1 0.935 -0.524 -2.790 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -0.093 -1.427 -2.514 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -1.077 -1.109 -1.575 0.00 0.00 +0.045 A BRANCH 20 26 ATOM 26 O LIG 1 -1.930 0.551 0.029 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.025 -0.311 0.337 0.00 0.00 +0.248 C BRANCH 27 28 ATOM 28 C LIG 1 -3.908 0.382 1.373 0.00 0.00 +0.148 C BRANCH 28 30 ATOM 29 C LIG 1 -6.184 0.066 2.244 0.00 0.00 +0.401 C ATOM 30 N LIG 1 -5.001 -0.457 1.815 0.00 0.00 -0.278 N ATOM 31 H LIG 1 -4.819 -1.392 2.152 0.00 0.00 +0.152 HD ATOM 32 O LIG 1 -6.515 1.235 2.143 0.00 0.00 -0.226 OA BRANCH 29 33 ATOM 33 O LIG 1 -6.909 -0.926 2.807 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 -8.708 -2.019 3.887 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -8.225 -0.660 3.359 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.149 0.322 4.533 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -9.198 -0.183 2.275 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 20 26 ENDBRANCH 1 22 TORSDOF 8