REMARK Name = LIG000416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.949 0.549 0.170 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.340 0.884 -1.027 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.923 0.742 -1.854 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.326 0.222 1.177 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.106 0.794 -1.192 0.00 0.00 +0.090 C ATOM 6 C LIG 1 1.891 1.854 -0.350 0.00 0.00 +0.077 C ATOM 7 N LIG 1 3.352 1.690 -0.461 0.00 0.00 -0.297 NA ATOM 8 C LIG 1 3.793 1.485 -1.842 0.00 0.00 +0.088 C ATOM 9 C LIG 1 2.672 1.923 -2.809 0.00 0.00 +0.005 C ATOM 10 C LIG 1 2.163 3.316 -2.395 0.00 0.00 +0.006 C ATOM 11 C LIG 1 1.624 3.255 -0.955 0.00 0.00 +0.021 C ATOM 12 C LIG 1 1.503 0.932 -2.677 0.00 0.00 +0.028 C BRANCH 7 13 ATOM 13 C LIG 1 4.016 0.874 0.552 0.00 0.00 +0.089 C BRANCH 13 14 ATOM 14 C LIG 1 3.590 -0.598 0.654 0.00 0.00 +0.050 C BRANCH 14 15 ATOM 15 C LIG 1 4.432 -1.356 1.655 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.045 -1.421 3.000 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.830 -2.106 3.928 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.010 -2.727 3.522 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.406 -2.663 2.187 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.623 -1.979 1.257 0.00 0.00 +0.003 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 2 5 BRANCH 1 21 ATOM 21 C LIG 1 -2.491 0.489 0.074 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 C LIG 1 -3.168 0.780 1.433 0.00 0.00 +0.018 C ATOM 23 C LIG 1 -4.695 0.580 1.349 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -5.392 0.921 2.664 0.00 0.00 +0.000 C ATOM 25 C LIG 1 -5.061 2.334 3.128 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -3.556 2.550 3.220 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -2.857 2.215 1.905 0.00 0.00 +0.006 C ENDBRANCH 21 22 BRANCH 21 29 ATOM 28 C LIG 1 -2.696 -1.193 -1.730 0.00 0.00 +0.230 C ATOM 29 N LIG 1 -2.794 -0.866 -0.393 0.00 0.00 -0.302 N ATOM 30 H LIG 1 -2.708 -1.613 0.285 0.00 0.00 +0.150 HD ATOM 31 O LIG 1 -2.396 -0.362 -2.589 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 C LIG 1 -2.906 -2.692 -2.041 0.00 0.00 +0.137 C ATOM 33 C LIG 1 -1.533 -3.361 -2.043 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 34 C LIG 1 -3.866 -4.165 -3.750 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -3.641 -2.799 -3.312 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -3.142 -2.270 -4.030 0.00 0.00 +0.122 HD ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 21 29 ENDBRANCH 1 21 TORSDOF 9