REMARK Name = LIG000235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.257 -3.639 -2.108 0.00 0.00 +0.324 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -0.144 -3.346 -2.206 0.00 0.00 -0.272 OA ATOM 3 C LIG 1 0.968 -2.828 -2.227 0.00 0.00 +0.251 C ATOM 4 N LIG 1 1.177 -1.472 -2.371 0.00 0.00 -0.310 N ATOM 5 H LIG 1 2.118 -1.124 -2.213 0.00 0.00 +0.149 HD BRANCH 4 6 ATOM 6 C LIG 1 0.074 -0.533 -2.365 0.00 0.00 +0.132 C BRANCH 6 7 ATOM 7 C LIG 1 -0.493 -0.299 -0.961 0.00 0.00 +0.178 C BRANCH 7 8 ATOM 8 O LIG 1 -1.493 0.717 -0.963 0.00 0.00 -0.376 OA BRANCH 8 9 ATOM 9 C LIG 1 -2.800 0.263 -1.330 0.00 0.00 +0.188 C BRANCH 9 10 ATOM 10 C LIG 1 -3.503 -0.530 -0.218 0.00 0.00 +0.188 C BRANCH 10 11 ATOM 11 O LIG 1 -3.522 0.108 1.061 0.00 0.00 -0.375 OA BRANCH 11 12 ATOM 12 C LIG 1 -4.166 1.384 1.117 0.00 0.00 +0.188 C BRANCH 12 13 ATOM 13 C LIG 1 -5.675 1.319 0.870 0.00 0.00 +0.188 C BRANCH 13 14 ATOM 14 O LIG 1 -5.936 1.260 -0.538 0.00 0.00 -0.373 OA BRANCH 14 15 ATOM 15 C LIG 1 -7.334 1.246 -0.835 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 -7.934 2.629 -0.779 0.00 0.00 -0.022 A ATOM 17 C LIG 1 -7.294 3.710 -1.403 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -7.859 4.986 -1.368 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -9.072 5.193 -0.715 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.723 4.125 -0.100 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.159 2.848 -0.134 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 3.229 -3.009 -1.282 0.00 0.00 -0.482 OA BRANCH 22 23 ATOM 23 C LIG 1 3.054 -3.030 0.069 0.00 0.00 +0.134 A ATOM 24 C LIG 1 3.972 -2.331 0.837 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.137 -1.523 0.455 0.00 0.00 +0.258 C ATOM 26 N LIG 1 5.678 -1.035 1.615 0.00 0.00 -0.222 N ATOM 27 C LIG 1 5.006 -1.494 2.714 0.00 0.00 +0.255 C ATOM 28 O LIG 1 5.239 -1.294 3.890 0.00 0.00 -0.270 OA ATOM 29 O LIG 1 5.524 -1.342 -0.684 0.00 0.00 -0.269 OA ATOM 30 C LIG 1 3.894 -2.299 2.220 0.00 0.00 +0.053 A ATOM 31 C LIG 1 2.899 -2.950 2.920 0.00 0.00 +0.014 A ATOM 32 C LIG 1 1.954 -3.651 2.171 0.00 0.00 +0.004 A ATOM 33 C LIG 1 2.030 -3.692 0.761 0.00 0.00 +0.046 A BRANCH 26 34 ATOM 34 C LIG 1 6.932 -0.303 1.710 0.00 0.00 +0.171 C ATOM 35 C LIG 1 8.099 -1.268 1.480 0.00 0.00 +0.240 C ATOM 36 O LIG 1 8.027 -2.484 1.649 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 9.295 -0.683 1.127 0.00 0.00 -0.255 N ATOM 38 H LIG 1 10.071 -1.316 0.984 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 9.528 0.631 0.805 0.00 0.00 +0.219 C ATOM 40 O LIG 1 10.638 1.006 0.439 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 8.372 1.588 0.986 0.00 0.00 +0.098 C ATOM 42 C LIG 1 7.038 0.890 0.763 0.00 0.00 +0.041 C ENDBRANCH 26 34 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 15