REMARK Name = LIG000560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.779 0.171 -1.859 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.511 -0.415 -0.895 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.068 -1.643 -0.595 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.977 -2.292 -1.143 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.806 -3.538 -0.573 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.792 -3.647 0.293 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.253 -1.593 -2.122 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.584 -2.527 0.314 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.693 -0.351 -2.462 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.759 -2.310 1.146 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -3.399 -2.292 2.631 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.856 -3.333 0.851 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -2.101 1.453 -2.279 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -1.315 1.781 -2.830 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -2.595 2.373 -1.255 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -3.836 4.617 -1.065 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -3.159 3.611 -1.984 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -1.478 2.748 -0.250 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -2.017 3.167 1.003 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -2.480 2.398 1.381 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.877 -2.153 -2.727 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.179 -2.960 -2.184 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.946 -1.229 -3.064 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.723 -0.813 -1.835 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.476 0.420 -1.220 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.178 0.798 -0.069 0.00 0.00 +0.010 A ATOM 27 C LIG 1 4.145 -0.044 0.509 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.383 -1.277 -0.124 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.683 -1.661 -1.273 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 4.893 0.335 1.728 0.00 0.00 +0.071 A ATOM 31 N LIG 1 6.154 -0.162 1.825 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 6.881 0.158 2.917 0.00 0.00 +0.111 A ATOM 33 C LIG 1 6.416 0.956 3.946 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.124 1.454 3.850 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.353 1.140 2.732 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10