REMARK Name = LIG000706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.157 -0.574 -0.456 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.415 -0.972 -1.560 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.766 -1.009 -2.723 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.089 -1.351 -1.062 0.00 0.00 +0.042 A ATOM 5 C LIG 1 3.050 -1.099 0.305 0.00 0.00 -0.016 A ATOM 6 C LIG 1 1.901 -1.367 1.035 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.771 -1.875 0.372 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.861 -2.156 -1.013 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.018 -1.881 -1.748 0.00 0.00 +0.015 A ATOM 10 C LIG 1 4.356 -0.543 0.761 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.509 2.578 0.599 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.645 1.824 0.164 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.498 2.315 -0.406 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.400 3.320 -0.352 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.312 1.629 -0.537 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.247 2.240 -0.591 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.444 0.097 -0.591 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.449 -0.352 0.465 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.789 0.320 0.205 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 -0.410 -2.213 1.050 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -1.153 -2.455 0.397 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.923 -1.310 2.080 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 -1.760 -0.217 1.459 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -3.140 -0.395 1.276 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -3.926 0.597 0.680 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -3.325 1.781 0.256 0.00 0.00 +0.045 A ATOM 27 C LIG 1 -1.950 1.967 0.423 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -1.172 0.974 1.018 0.00 0.00 +0.005 A BRANCH 25 29 ATOM 29 O LIG 1 -5.252 0.281 0.574 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 -6.104 1.248 -0.034 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 -7.503 0.684 -0.080 0.00 0.00 -0.010 A ATOM 32 C LIG 1 -8.505 1.173 0.770 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -9.795 0.642 0.721 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -10.096 -0.384 -0.174 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.106 -0.883 -1.018 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.816 -0.355 -0.970 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 7