REMARK Name = LIG000681 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.795 2.583 2.005 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.314 1.479 1.243 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -2.423 0.680 1.036 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.373 -0.513 0.312 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.088 -0.828 -0.161 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.006 0.019 0.073 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -3.450 1.332 1.662 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -4.421 1.036 1.686 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -0.076 1.173 0.780 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -3.096 2.478 2.274 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.362 -0.303 -0.428 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.498 -0.016 0.362 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.761 -0.323 -0.118 0.00 0.00 -0.017 A ATOM 14 C LIG 1 5.096 -0.116 0.517 0.00 0.00 +0.144 C ATOM 15 N LIG 1 6.006 -0.672 -0.479 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.343 -1.100 -1.617 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.825 -1.525 -2.649 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.910 -0.908 -1.371 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.838 -1.198 -2.188 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.560 -0.889 -1.708 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 7.457 -0.527 -0.428 0.00 0.00 +0.163 C ATOM 22 C LIG 1 8.077 -0.714 0.966 0.00 0.00 +0.240 C ATOM 23 O LIG 1 7.523 -1.288 1.900 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 9.354 -0.224 1.122 0.00 0.00 -0.255 N ATOM 25 H LIG 1 9.759 -0.348 2.041 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 10.017 0.653 0.301 0.00 0.00 +0.219 C ATOM 27 O LIG 1 11.067 1.180 0.656 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 9.406 0.898 -1.057 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.889 0.824 -1.001 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -1.030 3.606 2.424 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -1.394 4.161 3.189 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -0.024 3.475 2.439 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -3.543 -1.444 0.109 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -4.840 -0.740 0.012 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -5.946 -1.703 0.200 0.00 0.00 +0.096 C ATOM 36 C LIG 1 -7.299 -0.986 0.145 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -8.485 -1.891 0.528 0.00 0.00 +0.170 C ATOM 38 O LIG 1 -8.540 -1.315 1.856 0.00 0.00 -0.378 OA ATOM 39 C LIG 1 -7.673 -0.230 1.437 0.00 0.00 +0.170 C ATOM 40 C LIG 1 -7.485 -0.224 -1.163 0.00 0.00 +0.014 C ATOM 41 C LIG 1 -6.294 0.706 -1.375 0.00 0.00 +0.016 C ATOM 42 C LIG 1 -4.971 -0.062 -1.295 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5