REMARK Name = LIG001553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.359 -0.405 2.883 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -2.652 -0.558 1.651 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.628 -0.609 0.675 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.337 -0.751 -0.683 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.964 -0.864 -0.954 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.009 -0.805 0.074 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.809 -0.475 1.352 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.735 -0.439 0.936 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -1.324 -0.640 1.382 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -4.681 -0.344 2.685 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.442 -0.910 -0.204 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.360 -0.119 0.522 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.715 -0.224 0.252 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.866 0.506 0.855 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.014 -0.118 0.210 0.00 0.00 -0.282 N ATOM 16 C LIG 1 4.630 -0.996 -0.792 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.328 -1.572 -1.604 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.169 -1.103 -0.725 0.00 0.00 +0.042 A ATOM 19 C LIG 1 2.317 -1.901 -1.459 0.00 0.00 +0.014 A ATOM 20 C LIG 1 0.948 -1.802 -1.188 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.356 0.438 0.348 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.629 1.502 -0.727 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.755 2.221 -1.210 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.951 1.704 -1.052 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.132 2.427 -1.735 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.057 1.115 -0.493 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.189 1.488 -0.788 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.806 0.063 0.561 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.462 -0.617 0.353 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 31 ATOM 30 C LIG 1 -3.422 0.192 5.235 0.00 0.00 +0.127 C ATOM 31 N LIG 1 -2.731 -0.330 4.081 0.00 0.00 -0.329 N ATOM 32 H LIG 1 -1.726 -0.187 4.063 0.00 0.00 +0.147 HD ENDBRANCH 1 31 BRANCH 4 33 ATOM 33 C LIG 1 -4.373 -0.861 -1.776 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.584 -0.077 -1.500 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.664 -0.405 -2.436 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -7.642 0.746 -2.251 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -6.796 1.907 -1.741 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.376 1.367 -1.679 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5