REMARK Name = LIG000580 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.142 -3.008 2.199 0.00 0.00 +0.164 A ATOM 2 C LIG 1 2.580 -1.927 1.460 0.00 0.00 +0.131 A ATOM 3 C LIG 1 3.656 -1.125 1.128 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.524 0.054 0.391 0.00 0.00 -0.004 A ATOM 5 C LIG 1 2.196 0.348 0.039 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.139 -0.506 0.390 0.00 0.00 +0.072 A ATOM 7 N LIG 1 4.747 -1.758 1.661 0.00 0.00 -0.273 N ATOM 8 H LIG 1 5.712 -1.451 1.583 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.302 -1.648 1.102 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 4.467 -2.908 2.305 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.262 -0.205 0.019 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.309 -0.478 0.928 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.616 -0.191 0.571 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.876 -0.365 1.347 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.897 0.052 0.395 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.347 0.555 -0.770 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -4.910 1.096 -1.700 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -2.897 0.358 -0.675 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -1.915 0.640 -1.602 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.593 0.350 -1.246 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.298 0.157 0.788 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.678 1.621 1.006 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.140 2.318 1.868 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -7.617 2.156 0.161 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -7.838 3.130 0.310 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -8.181 1.591 -0.952 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -8.965 2.235 -1.647 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -7.783 0.178 -1.295 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.287 -0.603 -0.092 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 2.430 -4.027 2.712 0.00 0.00 -0.340 N ATOM 31 H LIG 1 1.509 -4.199 2.323 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 2.950 -4.867 2.936 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 4.658 0.995 0.061 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 5.956 0.303 -0.083 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.059 -0.401 -1.376 0.00 0.00 +0.085 C ATOM 36 C LIG 1 6.539 0.628 -2.391 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.151 1.750 -1.565 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.068 1.268 -0.126 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5