REMARK Name = LIG001525 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.452 -1.523 2.349 0.00 0.00 +0.012 A ATOM 2 C LIG 1 -1.670 -1.025 1.953 0.00 0.00 -0.006 A ATOM 3 C LIG 1 -2.182 -0.152 0.865 0.00 0.00 +0.145 C ATOM 4 N LIG 1 -3.627 -0.126 1.198 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -3.978 -0.894 2.310 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -5.091 -1.102 2.760 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.734 -1.434 2.783 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -2.355 -2.242 3.816 0.00 0.00 +0.059 A ATOM 9 S LIG 1 -0.652 -2.502 3.762 0.00 0.00 -0.099 S ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -4.638 0.473 0.333 0.00 0.00 +0.163 C ATOM 11 C LIG 1 -4.248 1.837 -0.254 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -3.381 2.567 0.218 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -4.968 2.245 -1.354 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -4.706 3.143 -1.739 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.782 1.478 -2.149 0.00 0.00 +0.219 C ATOM 16 O LIG 1 -6.203 1.902 -3.220 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -6.154 0.115 -1.616 0.00 0.00 +0.098 C ATOM 18 C LIG 1 -5.021 -0.483 -0.797 0.00 0.00 +0.041 C ENDBRANCH 4 10 BRANCH 1 19 ATOM 19 C LIG 1 0.899 -1.352 1.739 0.00 0.00 +0.148 C BRANCH 19 23 ATOM 20 N LIG 1 2.953 -0.239 0.077 0.00 0.00 -0.269 N ATOM 21 H LIG 1 2.478 -1.069 -0.237 0.00 0.00 +0.156 HD ATOM 22 C LIG 1 2.233 0.598 0.886 0.00 0.00 +0.304 C ATOM 23 N LIG 1 1.127 0.051 1.472 0.00 0.00 -0.295 N ATOM 24 H LIG 1 0.743 0.705 2.145 0.00 0.00 +0.151 HD ATOM 25 O LIG 1 2.482 1.774 1.126 0.00 0.00 -0.252 OA BRANCH 20 31 ATOM 26 C LIG 1 7.971 0.579 -2.587 0.00 0.00 +0.045 C ATOM 27 C LIG 1 6.662 0.404 -1.869 0.00 0.00 -0.032 A ATOM 28 C LIG 1 6.200 1.335 -0.928 0.00 0.00 +0.046 A ATOM 29 CL LIG 1 7.122 2.744 -0.534 0.00 0.00 -0.083 Cl ATOM 30 C LIG 1 4.977 1.148 -0.272 0.00 0.00 +0.043 A ATOM 31 C LIG 1 4.190 0.030 -0.547 0.00 0.00 +0.036 A ATOM 32 C LIG 1 4.651 -0.907 -1.480 0.00 0.00 +0.024 A ATOM 33 C LIG 1 5.872 -0.722 -2.136 0.00 0.00 +0.006 A ENDBRANCH 20 31 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 4