REMARK Name = LIG001604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.052 -0.274 -0.212 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.537 -0.184 1.073 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.138 -0.078 2.124 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.076 -0.218 0.948 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.759 -0.239 -0.405 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.566 -0.271 -0.811 0.00 0.00 +0.016 A ATOM 7 C LIG 1 1.595 -0.279 0.159 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.225 -0.264 1.531 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.115 -0.228 1.936 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -2.005 -0.204 -1.222 0.00 0.00 +0.144 C ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 3.012 -0.312 -0.265 0.00 0.00 +0.072 A ATOM 12 N LIG 1 3.263 -0.996 -1.409 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 4.546 -1.062 -1.837 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.628 -0.468 -1.189 0.00 0.00 +0.000 A ATOM 15 C LIG 1 5.355 0.249 -0.010 0.00 0.00 -0.014 A ATOM 16 C LIG 1 6.415 0.870 0.672 0.00 0.00 +0.008 A ATOM 17 C LIG 1 7.723 0.777 0.192 0.00 0.00 +0.001 A ATOM 18 C LIG 1 7.990 0.064 -0.975 0.00 0.00 +0.001 A ATOM 19 C LIG 1 6.948 -0.556 -1.665 0.00 0.00 +0.010 A ATOM 20 C LIG 1 4.031 0.323 0.447 0.00 0.00 +0.037 A ENDBRANCH 7 11 BRANCH 1 27 ATOM 21 O LIG 1 -8.346 1.242 -0.067 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -7.188 0.842 -0.138 0.00 0.00 +0.219 C ATOM 23 N LIG 1 -6.142 1.722 -0.252 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -6.385 2.703 -0.240 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -4.816 1.436 -0.485 0.00 0.00 +0.240 C ATOM 26 O LIG 1 -4.019 2.342 -0.725 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 -4.452 -0.056 -0.555 0.00 0.00 +0.163 C ATOM 28 C LIG 1 -5.427 -0.886 0.280 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -6.847 -0.629 -0.199 0.00 0.00 +0.098 C ENDBRANCH 1 27 TORSDOF 2