REMARK Name = LIG000918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.866 -1.092 -0.066 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.711 -0.329 -0.055 0.00 0.00 +0.003 A ATOM 3 C LIG 1 -0.284 -0.761 -0.126 0.00 0.00 +0.146 C ATOM 4 N LIG 1 0.437 0.507 -0.128 0.00 0.00 -0.282 N ATOM 5 C LIG 1 -0.409 1.586 0.081 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -0.106 2.753 0.232 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.777 1.059 0.083 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -2.968 1.746 0.189 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -4.130 0.988 0.141 0.00 0.00 +0.119 A ATOM 10 C LIG 1 -4.091 -0.411 -0.002 0.00 0.00 +0.068 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 1.879 0.610 0.063 0.00 0.00 +0.163 C ATOM 12 C LIG 1 2.310 0.209 1.484 0.00 0.00 +0.240 C ATOM 13 O LIG 1 1.541 0.048 2.428 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 3.664 0.025 1.656 0.00 0.00 -0.255 N ATOM 15 H LIG 1 3.937 -0.255 2.589 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 4.564 -0.299 0.673 0.00 0.00 +0.219 C ATOM 17 O LIG 1 5.652 -0.795 0.947 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 4.151 0.008 -0.748 0.00 0.00 +0.098 C ATOM 19 C LIG 1 2.661 -0.223 -0.948 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 N LIG 1 -2.814 -2.467 -0.328 0.00 0.00 -0.358 N ATOM 21 H LIG 1 -2.631 -2.649 -1.314 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -3.665 -2.952 -0.052 0.00 0.00 +0.142 HD ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 O LIG 1 -5.320 1.653 0.224 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 -6.046 1.008 0.234 0.00 0.00 +0.292 HD ENDBRANCH 9 23 TORSDOF 3