! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DACZ 1.00 ! cis-amiclenomycin GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT2 -0.1800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CT2 -0.1800 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 GROUP ATOM CD CT1 0.1900 ATOM HD HA 0.0900 ATOM CE1 CE1 -0.29 ATOM HE11 HE1 0.1500 ATOM CE2 CE1 -0.29 ATOM HE22 HE1 0.1500 ATOM CZ1 CE1 -0.29 ATOM HZ11 HE1 0.1500 ATOM CZ2 CE1 -0.29 ATOM HZ22 HE1 0.1500 ATOM CH CT1 0.6900 ATOM HH HA 0.0900 ATOM NJ NH3 -0.850 ATOM HJ1 HC 0.4500 ATOM HJ2 HC 0.4500 ATOM HJ3 HC 0.4500 GROUP ATOM C C 0.5100 ATOM O O -0.5100 BOND CB CA N HN N CA C CA C +N CA HA DOUBLE O C BOND CG CB BOND HB1 CB BOND HB2 CB BOND CE1 CD BOND CE2 CD BOND CG CD BOND HD CD BOND CZ1 CE1 BOND HE11 CE1 BOND CZ2 CE2 BOND HE22 CE2 BOND HG1 CG BOND HG2 CG BOND CZ1 CH BOND CZ2 CH BOND HH CH BOND NJ CH BOND HZ11 CZ1 BOND HZ22 CZ2 BOND NJ HJ1 BOND NJ HJ2 BOND NJ HJ3 IMPR N -C CA HN C CA +N O IMPR CE1 CD CZ1 HE11 IMPR CE2 CD CZ2 HE22 IMPR CZ1 CH CE1 HZ11 IMPR CZ2 CH CE2 HZ22 CMAP -C N CA C N CA C +N IC -C CA *N HN 1.3551 126.4900 180.0000 115.4200 0.9996 IC -C N CA C 1.3551 126.4900 180.0000 114.4400 1.5390 IC N CA C +N 1.4592 114.4400 180.0000 116.8400 1.3558 IC +N CA *C O 1.3558 116.8400 180.0000 122.5200 1.2297 IC CA C +N +CA 1.5390 116.8400 180.0000 126.7700 1.4613 IC N C *CA CB 1.4592 114.4400 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC NJ CH CZ2 CE2 1.47 109.14 -101.03 122.79 1.30 IC NJ CH CZ2 HZ22 1.47 109.14 79.23 118.57 1.08 IC NJ CH CZ1 CE1 1.47 109.11 100.94 122.82 1.30 IC NJ CH CZ1 HZ11 1.47 109.11 -79.06 118.60 1.08 IC CH CZ2 CE2 CD 1.50 122.79 0.20 122.91 1.50 IC CH CZ2 CE2 HE22 1.50 122.79 179.95 118.45 1.08 IC CH CZ1 CE1 HE11 1.50 122.82 179.93 118.56 1.08 IC CZ2 CH NJ HJ1 1.50 109.14 -179.99 106.64 1.01 IC CZ2 CH NJ HJ2 1.50 109.14 -66.24 106.70 1.01 IC CZ2 CH NJ HJ3 1.50 109.14 56.93 112.12 1.01 IC CZ2 CE2 CD CG 1.30 122.91 100.71 109.23 1.53 IC CZ2 CE2 CD HD 1.30 122.91 -140.02 109.15 1.09 IC CE2 CZ2 CH CZ1 1.30 122.79 19.41 111.23 1.50 IC CE2 CZ2 CH HH 1.30 122.79 139.76 109.15 1.09 IC CE2 CD CG HG1 1.50 109.23 60.04 109.39 1.09 IC CE2 CD CG HG2 1.50 109.23 -59.90 109.50 1.09 IC CD CG CB HB1 1.53 109.55 59.96 109.44 1.09 IC CD CG CB HB2 1.53 109.55 -59.91 109.47 1.09 IC HJ1 CH *NJ HJ2 0.00 0.00 120.00 0.00 0.00 IC HJ1 CH *NJ HJ3 0.00 0.00 -120.00 0.00 0.00 IC CZ2 NJ *CH CZ1 0.00 0.00 120.00 0.00 0.00 IC CZ1 NJ *CH HH 0.00 0.00 -120.00 0.00 0.00 IC CE2 CH *CZ2 HZ22 0.00 0.00 180.00 0.00 0.00 IC CD CZ2 *CE2 HE22 0.00 0.00 180.00 0.00 0.00 IC CG CE2 *CD CE1 0.00 0.00 120.00 0.00 0.00 IC CE1 CE2 *CD HD 0.00 0.00 -120.00 0.00 0.00 IC CB CD *CG HG1 0.00 0.00 120.00 0.00 0.00 IC CB CD *CG HG2 0.00 0.00 -120.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CA CG *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CZ1 CD *CE1 HE11 0.00 0.00 180.00 0.00 0.00 IC CE1 CH *CZ1 HZ11 0.00 0.00 180.00 0.00 0.00