REMARK Name = LIG001598 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.433 3.106 -1.153 0.00 0.00 +0.139 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 -5.438 -0.305 -0.679 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -4.992 -0.237 -1.992 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -5.478 -0.760 -2.976 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.788 0.600 -1.988 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -3.589 1.066 -0.691 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -2.512 1.886 -0.403 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -1.632 2.237 -1.445 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -1.854 1.744 -2.753 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.946 0.919 -3.035 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -4.669 0.562 0.206 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -10.160 -1.246 1.940 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -9.176 -1.185 1.209 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -9.013 -0.146 0.328 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.710 0.583 0.400 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.823 0.248 -0.243 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -7.676 1.405 -0.629 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.747 -0.847 -0.337 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -6.727 -1.637 0.968 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.100 -2.246 1.210 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 0.677 2.306 -0.686 0.00 0.00 -0.307 N ATOM 22 H LIG 1 1.106 1.678 -1.351 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 0.909 2.112 0.652 0.00 0.00 +0.244 C ATOM 24 O LIG 1 0.261 2.636 1.550 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 1.976 1.128 0.963 0.00 0.00 +0.052 C ATOM 26 C LIG 1 1.744 0.293 2.187 0.00 0.00 +0.269 C ATOM 27 O LIG 1 2.559 -0.889 2.299 0.00 0.00 -0.487 OA ATOM 28 C LIG 1 3.775 -0.853 1.673 0.00 0.00 +0.128 A ATOM 29 C LIG 1 4.093 0.061 0.665 0.00 0.00 +0.018 A ATOM 30 C LIG 1 5.354 0.006 0.056 0.00 0.00 +0.020 A ATOM 31 C LIG 1 6.306 -0.955 0.442 0.00 0.00 -0.017 A ATOM 32 C LIG 1 5.957 -1.867 1.451 0.00 0.00 +0.012 A ATOM 33 C LIG 1 4.699 -1.821 2.058 0.00 0.00 +0.047 A ATOM 34 C LIG 1 3.100 1.040 0.239 0.00 0.00 +0.023 C BRANCH 31 35 ATOM 35 C LIG 1 7.631 -1.005 -0.197 0.00 0.00 -0.018 A ATOM 36 C LIG 1 8.806 -0.938 0.570 0.00 0.00 +0.008 A ATOM 37 C LIG 1 10.065 -0.985 -0.036 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.169 -1.101 -1.420 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.016 -1.170 -2.198 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.758 -1.122 -1.591 0.00 0.00 +0.008 A ENDBRANCH 31 35 ENDBRANCH 23 25 ENDBRANCH 1 21 TORSDOF 5