REMARK Name = LIG001808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.336 -0.725 0.216 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -5.038 -0.640 1.566 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.792 -0.769 2.510 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.612 -0.310 1.664 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.114 -0.153 0.374 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.783 0.178 0.177 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -0.960 0.358 1.305 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.485 0.178 2.605 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -2.831 -0.154 2.793 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.193 -0.397 -0.629 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.474 0.709 1.075 0.00 0.00 +0.075 A ATOM 12 N LIG 1 1.059 0.279 -0.009 0.00 0.00 -0.226 NA ATOM 13 C LIG 1 2.377 0.612 -0.184 0.00 0.00 +0.175 A ATOM 14 N LIG 1 3.069 1.390 0.743 0.00 0.00 -0.220 N ATOM 15 N LIG 1 4.354 1.612 0.377 0.00 0.00 -0.167 NA ATOM 16 C LIG 1 4.493 0.951 -0.784 0.00 0.00 +0.098 A ATOM 17 C LIG 1 2.428 1.861 1.883 0.00 0.00 +0.117 A ATOM 18 C LIG 1 3.288 0.323 -1.175 0.00 0.00 +0.109 A ATOM 19 CL LIG 1 3.030 -0.593 -2.580 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 1.141 1.566 2.113 0.00 0.00 +0.048 A BRANCH 16 21 ATOM 21 C LIG 1 5.811 0.953 -1.505 0.00 0.00 +0.143 C BRANCH 21 22 ATOM 22 N LIG 1 6.543 -0.307 -1.280 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 6.945 -0.456 0.139 0.00 0.00 +0.113 C ATOM 24 C LIG 1 8.162 -1.380 0.296 0.00 0.00 +0.175 C ATOM 25 O LIG 1 9.338 -0.857 -0.339 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.043 -0.038 -1.478 0.00 0.00 +0.175 C ATOM 27 C LIG 1 7.722 -0.414 -2.166 0.00 0.00 +0.113 C ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 7 11 BRANCH 1 34 ATOM 28 O LIG 1 -9.886 -0.223 -2.846 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -8.974 -0.425 -2.049 0.00 0.00 +0.219 C ATOM 30 N LIG 1 -8.042 -1.405 -2.277 0.00 0.00 -0.255 N ATOM 31 H LIG 1 -8.130 -1.890 -3.160 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 -6.848 -1.590 -1.616 0.00 0.00 +0.240 C ATOM 33 O LIG 1 -5.994 -2.334 -2.092 0.00 0.00 -0.273 OA ATOM 34 C LIG 1 -6.705 -0.852 -0.275 0.00 0.00 +0.163 C ATOM 35 C LIG 1 -7.375 0.520 -0.377 0.00 0.00 +0.041 C ATOM 36 C LIG 1 -8.835 0.353 -0.764 0.00 0.00 +0.098 C ENDBRANCH 1 34 TORSDOF 4