REMARK Name = LIG001148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.882 0.222 -0.183 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.506 -0.766 -1.083 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.214 -1.435 -1.811 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.047 -0.886 -0.994 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.601 -0.035 0.011 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.251 0.042 0.319 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.666 -0.727 -0.418 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.170 -1.611 -1.407 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.192 -1.692 -1.714 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.762 0.658 0.640 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.311 -0.180 0.669 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.112 -0.020 0.462 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.173 -0.760 1.137 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.533 -1.452 1.779 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.808 -0.591 1.140 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.107 -1.216 1.936 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -5.261 0.499 0.204 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.203 0.712 -0.981 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.592 1.054 -0.465 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 2.034 -0.766 -0.134 0.00 0.00 -0.340 N ATOM 21 H LIG 1 2.587 -1.081 -0.928 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 2.663 0.332 0.585 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 4.159 0.124 0.598 0.00 0.00 -0.030 A ATOM 24 C LIG 1 5.000 0.882 -0.227 0.00 0.00 +0.015 A ATOM 25 C LIG 1 6.392 0.674 -0.222 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.963 -0.309 0.614 0.00 0.00 +0.071 A ATOM 27 N LIG 1 8.288 -0.541 0.652 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 9.085 0.203 -0.147 0.00 0.00 +0.111 A ATOM 29 C LIG 1 8.620 1.186 -0.999 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.115 -1.057 1.418 0.00 0.00 +0.028 A ATOM 31 C LIG 1 7.252 1.424 -1.036 0.00 0.00 +0.011 A ATOM 32 C LIG 1 4.731 -0.855 1.416 0.00 0.00 +0.007 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 4