REMARK Name = LIG001064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.634 1.925 0.941 0.00 0.00 -0.310 N ATOM 2 H LIG 1 -0.872 1.494 1.822 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.502 1.542 0.261 0.00 0.00 +0.244 C ATOM 4 O LIG 1 0.909 2.115 -0.744 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.258 0.390 0.824 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.641 0.330 0.588 0.00 0.00 +0.023 A ATOM 7 C LIG 1 3.408 -0.728 1.092 0.00 0.00 +0.003 A ATOM 8 C LIG 1 2.762 -1.730 1.832 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.384 -1.687 2.054 0.00 0.00 +0.001 A ATOM 10 C LIG 1 0.629 -0.630 1.547 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 C LIG 1 4.845 -0.815 0.876 0.00 0.00 +0.090 A ATOM 12 N LIG 1 5.638 -1.766 1.487 0.00 0.00 -0.228 NA ATOM 13 C LIG 1 6.859 -1.540 1.056 0.00 0.00 +0.138 A ATOM 14 N LIG 1 6.895 -0.463 0.179 0.00 0.00 -0.305 N ATOM 15 C LIG 1 8.061 0.008 -0.416 0.00 0.00 +0.105 A ATOM 16 C LIG 1 9.231 -0.595 -0.132 0.00 0.00 +0.053 A ATOM 17 C LIG 1 9.228 -1.757 0.757 0.00 0.00 +0.018 A ATOM 18 C LIG 1 8.090 -2.202 1.326 0.00 0.00 +0.047 A ATOM 19 C LIG 1 5.608 -0.005 0.060 0.00 0.00 +0.121 A BRANCH 16 20 ATOM 20 C LIG 1 10.465 -0.069 -0.786 0.00 0.00 +0.246 C ATOM 21 N LIG 1 11.583 -0.090 0.018 0.00 0.00 -0.308 N ATOM 22 H LIG 1 11.469 -0.360 0.986 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 10.449 0.376 -1.928 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 12.889 0.422 -0.452 0.00 0.00 +0.073 C ATOM 25 C LIG 1 13.708 -0.600 -1.279 0.00 0.00 +0.022 C ATOM 26 C LIG 1 14.387 -1.035 0.035 0.00 0.00 +0.004 C ATOM 27 C LIG 1 14.011 0.344 0.612 0.00 0.00 +0.022 C ENDBRANCH 21 24 ENDBRANCH 16 20 ENDBRANCH 7 11 ENDBRANCH 3 5 BRANCH 1 28 ATOM 28 C LIG 1 -1.438 3.045 0.492 0.00 0.00 +0.120 C BRANCH 28 29 ATOM 29 C LIG 1 -2.382 2.721 -0.688 0.00 0.00 +0.103 C BRANCH 29 33 ATOM 30 C LIG 1 -5.372 -0.223 -0.133 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -5.501 1.072 0.683 0.00 0.00 +0.036 C ATOM 32 C LIG 1 -4.190 1.861 0.759 0.00 0.00 +0.086 C ATOM 33 N LIG 1 -3.443 1.720 -0.481 0.00 0.00 -0.301 NA ATOM 34 C LIG 1 -3.007 0.347 -0.757 0.00 0.00 +0.086 C ATOM 35 C LIG 1 -3.927 -0.713 -0.140 0.00 0.00 +0.036 C BRANCH 30 36 ATOM 36 N LIG 1 -6.261 -1.240 0.466 0.00 0.00 -0.177 NA ATOM 37 H LIG 1 -5.847 -1.741 1.252 0.00 0.00 +0.149 HD BRANCH 36 38 ATOM 38 S LIG 1 -7.043 -2.346 -0.512 0.00 0.00 +0.097 S ATOM 39 O LIG 1 -7.511 -3.372 0.388 0.00 0.00 -0.141 OA ATOM 40 O LIG 1 -6.204 -2.646 -1.644 0.00 0.00 -0.141 OA BRANCH 38 49 ATOM 41 O LIG 1 -13.621 0.293 -1.661 0.00 0.00 -0.275 OA ATOM 42 C LIG 1 -12.481 0.381 -1.239 0.00 0.00 +0.220 C ATOM 43 N LIG 1 -12.026 1.358 -0.416 0.00 0.00 -0.256 N ATOM 44 H LIG 1 -12.643 2.037 0.001 0.00 0.00 +0.157 HD ATOM 45 C LIG 1 -10.776 1.110 0.049 0.00 0.00 +0.227 C ATOM 46 O LIG 1 -10.247 1.684 0.984 0.00 0.00 -0.275 OA ATOM 47 C LIG 1 -10.164 0.033 -0.805 0.00 0.00 +0.071 C ATOM 48 C LIG 1 -9.305 -0.941 -0.010 0.00 0.00 +0.127 C ATOM 49 N LIG 1 -8.362 -1.471 -1.014 0.00 0.00 -0.166 NA ATOM 50 C LIG 1 -8.301 -0.583 -2.184 0.00 0.00 +0.111 C ATOM 51 C LIG 1 -9.160 0.617 -1.800 0.00 0.00 +0.035 C ATOM 52 C LIG 1 -11.377 -0.608 -1.490 0.00 0.00 +0.113 C ENDBRANCH 38 49 ENDBRANCH 36 38 ENDBRANCH 30 36 ENDBRANCH 29 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 10