REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_1 and C_18 REMARK 2 A between atoms: C_6 and N_10 REMARK 3 A between atoms: C_9 and C_11 ROOT ATOM 1 N1 LIG A 1 18.125 32.794 40.499 0.00 0.00 -0.145 N ATOM 2 C2 LIG A 1 19.449 30.330 42.860 0.00 0.00 0.224 A ATOM 3 N3 LIG A 1 19.540 31.198 41.842 0.00 0.00 -0.222 NA ATOM 4 C4 LIG A 1 18.373 31.862 41.513 0.00 0.00 0.143 A ATOM 5 C5 LIG A 1 17.145 31.664 42.209 0.00 0.00 0.077 A ATOM 6 C6 LIG A 1 17.155 30.735 43.280 0.00 0.00 0.118 A ATOM 7 N7 LIG A 1 18.305 30.070 43.576 0.00 0.00 -0.224 NA ATOM 8 N8 LIG A 1 16.793 33.159 40.547 0.00 0.00 -0.190 NA ATOM 9 C9 LIG A 1 16.182 32.505 41.557 0.00 0.00 0.099 A ENDROOT BRANCH 9 10 ATOM 10 C11 LIG A 1 14.763 32.668 41.865 0.00 0.00 0.002 A ATOM 11 C16 LIG A 1 13.795 32.315 40.922 0.00 0.00 0.010 A ATOM 12 C15 LIG A 1 12.447 32.472 41.221 0.00 0.00 0.004 A ATOM 13 C14 LIG A 1 12.052 32.988 42.456 0.00 0.00 -0.050 A ATOM 14 C13 LIG A 1 13.024 33.351 43.391 0.00 0.00 0.004 A ATOM 15 C24 LIG A 1 10.611 33.145 42.781 0.00 0.00 0.044 C ATOM 16 C12 LIG A 1 14.373 33.193 43.100 0.00 0.00 0.010 A ENDBRANCH 9 10 BRANCH 6 17 ATOM 17 N10 LIG A 1 16.064 30.520 44.126 0.00 0.00 -0.286 NA ATOM 18 H LIG A 1 15.188 30.747 43.713 0.00 0.00 0.125 HD ATOM 19 H LIG A 1 16.068 29.665 44.632 0.00 0.00 0.125 HD ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C28 LIG A 1 19.090 33.354 39.483 0.00 0.00 0.041 C ATOM 21 C33 LIG A 1 18.395 34.367 38.566 0.00 0.00 0.029 C ATOM 22 C29 LIG A 1 19.646 32.211 38.626 0.00 0.00 0.029 C ATOM 23 C37 LIG A 1 20.241 34.059 40.211 0.00 0.00 0.029 C ENDBRANCH 1 20 TORSDOF 3