REMARK Name = LIG000611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.681 -0.214 -0.173 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.240 -0.770 1.019 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -2.901 -1.211 1.939 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.774 -0.721 0.993 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.385 -0.061 -0.169 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.959 0.131 -0.444 0.00 0.00 +0.016 A ATOM 7 C LIG 1 1.917 -0.361 0.463 0.00 0.00 +0.004 A ATOM 8 C LIG 1 1.492 -1.010 1.645 0.00 0.00 +0.011 A ATOM 9 C LIG 1 0.132 -1.199 1.918 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.586 0.369 -0.938 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 3.325 -0.148 0.170 0.00 0.00 +0.109 A ATOM 12 C LIG 1 4.382 -0.999 0.407 0.00 0.00 +0.141 A ATOM 13 CL LIG 1 4.485 -2.567 1.069 0.00 0.00 -0.061 Cl ATOM 14 N LIG 1 5.511 -0.365 -0.056 0.00 0.00 -0.290 N ATOM 15 C LIG 1 5.073 0.852 -0.581 0.00 0.00 +0.139 A ATOM 16 C LIG 1 6.058 1.717 -1.139 0.00 0.00 +0.047 A ATOM 17 C LIG 1 7.352 1.345 -1.145 0.00 0.00 +0.005 A ATOM 18 C LIG 1 7.777 0.070 -0.592 0.00 0.00 +0.018 A ATOM 19 C LIG 1 6.856 -0.752 -0.063 0.00 0.00 +0.094 A ATOM 20 N LIG 1 3.769 0.993 -0.469 0.00 0.00 -0.226 NA ENDBRANCH 7 11 BRANCH 1 27 ATOM 21 O LIG 1 -8.040 0.961 0.344 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -6.862 0.663 0.165 0.00 0.00 +0.219 C ATOM 23 N LIG 1 -5.852 1.495 0.578 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -6.139 2.336 1.060 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -4.505 1.382 0.322 0.00 0.00 +0.240 C ATOM 26 O LIG 1 -3.739 2.299 0.617 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 -4.070 0.130 -0.456 0.00 0.00 +0.163 C ATOM 28 C LIG 1 -5.049 -1.019 -0.214 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.452 -0.575 -0.597 0.00 0.00 +0.098 C ENDBRANCH 1 27 TORSDOF 2