REMARK Name = LIG000723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.165 2.193 2.634 0.00 0.00 +0.137 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.196 1.720 1.576 0.00 0.00 -0.030 A ATOM 3 C LIG 1 0.418 0.465 1.678 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.301 0.022 0.690 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.585 0.824 -0.422 0.00 0.00 -0.033 A ATOM 6 C LIG 1 0.959 2.073 -0.533 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.078 2.517 0.456 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 2.532 0.336 -1.500 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 3.664 1.246 -1.743 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 4.522 1.373 -0.534 0.00 0.00 +0.103 C ATOM 11 C LIG 1 5.994 1.706 -0.860 0.00 0.00 +0.120 C ATOM 12 N LIG 1 6.621 0.625 -1.655 0.00 0.00 -0.325 N ATOM 13 C LIG 1 5.694 -0.062 -2.589 0.00 0.00 +0.120 C ATOM 14 C LIG 1 4.461 0.814 -2.915 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 7.526 -0.253 -1.033 0.00 0.00 +0.066 A ATOM 16 C LIG 1 7.564 -0.532 0.348 0.00 0.00 +0.147 A ATOM 17 F LIG 1 6.667 0.012 1.187 0.00 0.00 -0.203 F ATOM 18 C LIG 1 8.494 -1.411 0.901 0.00 0.00 +0.078 A ATOM 19 C LIG 1 9.413 -2.033 0.073 0.00 0.00 +0.126 A ATOM 20 F LIG 1 10.309 -2.878 0.596 0.00 0.00 -0.205 F ATOM 21 C LIG 1 9.414 -1.792 -1.294 0.00 0.00 +0.040 A ATOM 22 C LIG 1 8.476 -0.911 -1.839 0.00 0.00 +0.029 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 N LIG 1 -2.529 1.788 2.298 0.00 0.00 -0.339 N ATOM 24 H LIG 1 -2.723 2.005 1.324 0.00 0.00 +0.146 HD BRANCH 23 30 ATOM 25 N LIG 1 -5.942 -0.440 0.628 0.00 0.00 -0.282 N ATOM 26 C LIG 1 -5.802 -1.525 1.478 0.00 0.00 +0.248 C ATOM 27 O LIG 1 -6.446 -2.556 1.498 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 -4.688 -1.218 2.381 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -4.123 0.000 1.992 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -3.031 0.539 2.665 0.00 0.00 +0.033 A ATOM 31 C LIG 1 -2.599 -0.178 3.796 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -3.172 -1.411 4.176 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.229 -1.953 3.454 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -4.862 0.521 0.801 0.00 0.00 +0.146 C BRANCH 25 41 ATOM 35 O LIG 1 -9.100 -1.942 -3.629 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 -8.442 -1.548 -2.670 0.00 0.00 +0.219 C ATOM 37 N LIG 1 -7.088 -1.764 -2.607 0.00 0.00 -0.255 N ATOM 38 H LIG 1 -6.686 -2.285 -3.373 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 -6.193 -1.258 -1.691 0.00 0.00 +0.240 C ATOM 40 O LIG 1 -4.982 -1.397 -1.866 0.00 0.00 -0.273 OA ATOM 41 C LIG 1 -6.796 -0.420 -0.554 0.00 0.00 +0.163 C ATOM 42 C LIG 1 -8.237 -0.849 -0.277 0.00 0.00 +0.041 C ATOM 43 C LIG 1 -9.052 -0.731 -1.556 0.00 0.00 +0.098 C ENDBRANCH 25 41 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 7