REMARK Name = LIG000604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 9.872 2.112 -3.881 0.00 0.00 -0.030 A ATOM 2 C LIG 1 10.590 1.045 -4.424 0.00 0.00 +0.006 A ATOM 3 C LIG 1 11.658 1.288 -5.298 0.00 0.00 +0.010 A ATOM 4 C LIG 1 12.044 2.599 -5.642 0.00 0.00 +0.000 A ATOM 5 C LIG 1 11.285 3.652 -5.097 0.00 0.00 +0.010 A ATOM 6 C LIG 1 10.226 3.414 -4.226 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 13.224 2.868 -6.497 0.00 0.00 +0.071 A ATOM 8 N LIG 1 13.547 1.927 -7.421 0.00 0.00 -0.254 NA ATOM 9 C LIG 1 14.642 2.151 -8.207 0.00 0.00 +0.124 A ATOM 10 C LIG 1 15.480 3.256 -8.088 0.00 0.00 +0.055 A ATOM 11 C LIG 1 15.136 4.204 -7.125 0.00 0.00 +0.016 A ATOM 12 C LIG 1 13.999 4.022 -6.343 0.00 0.00 +0.029 A BRANCH 10 13 ATOM 13 C LIG 1 16.648 3.510 -8.972 0.00 0.00 +0.246 C ATOM 14 N LIG 1 17.326 2.418 -9.468 0.00 0.00 -0.306 N ATOM 15 H LIG 1 17.083 1.487 -9.121 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 16.979 4.685 -9.180 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 18.534 2.512 -10.316 0.00 0.00 +0.036 C ATOM 18 C LIG 1 19.680 3.261 -9.586 0.00 0.00 +0.029 C ATOM 19 C LIG 1 20.933 3.344 -10.475 0.00 0.00 -0.008 C ATOM 20 C LIG 1 21.413 1.926 -10.815 0.00 0.00 +0.007 C ATOM 21 C LIG 1 20.307 1.165 -11.565 0.00 0.00 -0.008 C ATOM 22 C LIG 1 19.961 1.913 -12.862 0.00 0.00 +0.007 C ATOM 23 C LIG 1 19.476 3.333 -12.533 0.00 0.00 -0.008 C ATOM 24 C LIG 1 20.584 4.085 -11.777 0.00 0.00 +0.007 C ATOM 25 C LIG 1 18.221 3.249 -11.646 0.00 0.00 +0.029 C ATOM 26 C LIG 1 19.049 1.090 -10.676 0.00 0.00 +0.029 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 C LIG 1 8.740 1.892 -2.926 0.00 0.00 +0.138 C BRANCH 27 28 ATOM 28 N LIG 1 9.225 1.208 -1.742 0.00 0.00 -0.323 N ATOM 29 H LIG 1 10.237 1.197 -1.612 0.00 0.00 +0.148 HD BRANCH 28 37 ATOM 30 C LIG 1 6.606 2.074 0.634 0.00 0.00 +0.219 A ATOM 31 N LIG 1 7.167 1.976 1.841 0.00 0.00 -0.195 NA ATOM 32 C LIG 1 8.453 1.641 1.819 0.00 0.00 +0.167 A ATOM 33 N LIG 1 9.293 1.521 2.891 0.00 0.00 -0.312 N ATOM 34 C LIG 1 10.522 1.170 2.391 0.00 0.00 +0.201 A ATOM 35 N LIG 1 10.515 1.078 1.074 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 9.216 1.372 0.704 0.00 0.00 +0.148 A ATOM 37 C LIG 1 8.556 1.468 -0.541 0.00 0.00 +0.152 A ATOM 38 N LIG 1 7.236 1.839 -0.528 0.00 0.00 -0.197 NA BRANCH 33 39 ATOM 39 C LIG 1 8.970 1.756 4.295 0.00 0.00 +0.084 C ATOM 40 C LIG 1 7.952 0.754 4.845 0.00 0.00 +0.030 C ATOM 41 C LIG 1 8.542 3.204 4.563 0.00 0.00 +0.030 C ENDBRANCH 33 39 BRANCH 30 42 ATOM 42 N LIG 1 5.282 2.486 0.539 0.00 0.00 -0.308 N ATOM 43 H LIG 1 5.106 2.780 -0.415 0.00 0.00 +0.149 HD BRANCH 42 44 ATOM 44 CA LIG 1 4.745 3.301 1.643 0.00 0.00 +0.098 C BRANCH 44 46 ATOM 45 C LIG 1 2.522 2.044 1.413 0.00 0.00 +0.006 C ATOM 46 C LIG 1 3.212 3.401 1.520 0.00 0.00 +0.021 C ENDBRANCH 44 46 BRANCH 44 47 ATOM 47 C LIG 1 5.413 4.697 1.723 0.00 0.00 +0.178 C BRANCH 47 48 ATOM 48 O LIG 1 4.887 5.500 2.786 0.00 0.00 -0.393 OA ATOM 49 H LIG 1 3.982 5.768 2.552 0.00 0.00 +0.209 HD ENDBRANCH 47 48 ENDBRANCH 44 47 ENDBRANCH 42 44 ENDBRANCH 30 42 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 12