REMARK Name = LIG000939 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.858 -1.441 4.383 0.00 0.00 +0.019 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.351 -2.526 3.422 0.00 0.00 +0.104 C BRANCH 2 4 ATOM 3 C LIG 1 -2.485 -1.769 1.063 0.00 0.00 +0.246 C ATOM 4 N LIG 1 -3.070 -1.984 2.291 0.00 0.00 -0.311 N ATOM 5 H LIG 1 -3.975 -1.558 2.451 0.00 0.00 +0.149 HD ATOM 6 O LIG 1 -1.312 -2.034 0.819 0.00 0.00 -0.270 OA BRANCH 3 9 ATOM 7 C LIG 1 -1.624 0.426 -1.073 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -2.964 -0.168 -0.826 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -3.372 -1.129 0.091 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -4.779 -1.348 -0.138 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -5.642 -2.369 0.524 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -5.179 -0.446 -1.112 0.00 0.00 +0.044 A ATOM 13 N LIG 1 -4.066 0.234 -1.536 0.00 0.00 -0.358 N ATOM 14 H LIG 1 -4.059 0.949 -2.252 0.00 0.00 +0.166 HD BRANCH 12 15 ATOM 15 C LIG 1 -6.406 -0.148 -1.747 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -7.494 0.294 -1.098 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -8.782 0.587 -1.745 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -9.637 1.033 -0.731 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -10.947 1.403 -0.967 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -11.407 1.316 -2.282 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -10.554 0.868 -3.302 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -11.023 0.794 -4.555 0.00 0.00 -0.205 F ATOM 23 N LIG 1 -8.979 1.042 0.492 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -9.371 1.330 1.376 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -9.234 0.497 -3.050 0.00 0.00 +0.048 A ATOM 26 C LIG 1 -7.664 0.614 0.371 0.00 0.00 +0.249 C ATOM 27 O LIG 1 -6.858 0.539 1.278 0.00 0.00 -0.270 OA ENDBRANCH 12 15 ENDBRANCH 3 9 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 28 ATOM 28 C LIG 1 -0.792 -0.498 3.813 0.00 0.00 +0.002 C BRANCH 28 29 ATOM 29 C LIG 1 0.540 -1.196 3.530 0.00 0.00 +0.002 C BRANCH 29 30 ATOM 30 C LIG 1 1.621 -0.251 2.997 0.00 0.00 +0.019 C BRANCH 30 31 ATOM 31 C LIG 1 1.277 0.349 1.631 0.00 0.00 +0.101 C BRANCH 31 32 ATOM 32 N LIG 1 2.394 1.131 1.105 0.00 0.00 -0.344 N ATOM 33 H LIG 1 2.611 1.942 1.679 0.00 0.00 +0.146 HD BRANCH 32 34 ATOM 34 C LIG 1 3.522 0.536 0.541 0.00 0.00 +0.028 A ATOM 35 C LIG 1 4.660 1.335 0.343 0.00 0.00 +0.036 A ATOM 36 C LIG 1 5.761 0.774 -0.277 0.00 0.00 +0.051 A ATOM 37 C LIG 1 7.061 1.355 -0.602 0.00 0.00 +0.255 C ATOM 38 N LIG 1 7.798 0.363 -1.190 0.00 0.00 -0.222 N ATOM 39 C LIG 1 7.065 -0.784 -1.337 0.00 0.00 +0.254 C ATOM 40 O LIG 1 7.391 -1.836 -1.854 0.00 0.00 -0.270 OA ATOM 41 O LIG 1 7.369 2.511 -0.383 0.00 0.00 -0.270 OA ATOM 42 C LIG 1 5.762 -0.529 -0.728 0.00 0.00 +0.050 A ATOM 43 C LIG 1 4.659 -1.341 -0.590 0.00 0.00 +0.015 A ATOM 44 C LIG 1 3.533 -0.790 0.041 0.00 0.00 +0.024 A BRANCH 38 45 ATOM 45 C LIG 1 9.110 0.541 -1.794 0.00 0.00 +0.171 C ATOM 46 C LIG 1 8.963 1.312 -3.110 0.00 0.00 +0.240 C ATOM 47 O LIG 1 7.925 1.359 -3.766 0.00 0.00 -0.273 OA ATOM 48 N LIG 1 10.110 1.915 -3.578 0.00 0.00 -0.255 N ATOM 49 H LIG 1 10.020 2.413 -4.453 0.00 0.00 +0.158 HD ATOM 50 C LIG 1 11.319 2.038 -2.939 0.00 0.00 +0.219 C ATOM 51 O LIG 1 12.246 2.657 -3.452 0.00 0.00 -0.275 OA ATOM 52 C LIG 1 11.461 1.323 -1.615 0.00 0.00 +0.098 C ATOM 53 C LIG 1 10.127 1.232 -0.889 0.00 0.00 +0.041 C ENDBRANCH 38 45 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 11