ENTRY C05998 Compound ATOM 55 1 S2a S 12.3873 -20.5800 2 C1b C 13.5997 -19.8800 3 C1b C 14.8122 -20.5800 4 N1b N 16.0246 -19.8800 5 C5a C 17.2370 -20.5800 6 C1b C 18.4495 -19.8800 7 C1b C 19.6619 -20.5800 8 N1b N 20.8744 -19.8800 9 C5a C 22.0868 -20.5800 10 C1c C 23.2992 -19.8800 11 C1d C 24.5117 -20.5800 12 C1b C 25.7241 -19.8800 13 O2b O 26.9365 -20.5800 14 O5a O 17.2370 -21.9799 15 O5a O 22.0868 -21.9796 16 O1a O 23.2992 -18.4800 17 C1a C 24.5117 -19.1800 18 C1a C 24.5117 -21.9800 19 P1b P 28.3365 -20.5800 20 O1c O 29.7365 -20.5800 21 O1c O 28.3365 -21.9800 22 C1y C 21.8400 -15.6100 23 C1y C 23.2400 -15.6100 24 C1y C 23.6726 -14.2785 25 O2x O 22.5400 -13.4556 26 C1y C 21.4074 -14.2785 27 C1b C 24.9922 -13.8497 28 O1a O 21.0171 -16.7426 29 O2b O 24.0629 -16.7426 30 P1b P 25.4629 -16.7426 31 O1c O 25.4629 -15.3426 32 O1c O 26.8629 -16.7426 33 O1c O 25.4629 -18.1426 34 C8y C 17.2900 -12.4600 35 C8y C 17.2900 -13.8600 36 N4y N 19.7149 -13.8600 37 C8x C 19.7149 -12.4600 38 N5x N 18.5024 -11.7600 39 C8y C 16.0776 -11.7600 40 N5x N 14.8651 -12.4600 41 C8x C 14.8651 -13.8600 42 N5x N 16.0776 -14.5600 43 N1a N 16.0776 -10.3602 44 O2b O 26.9745 -14.2820 45 P1b P 28.3745 -14.2820 46 O1c O 28.3745 -12.8820 47 O1c O 29.7745 -14.2820 48 O2c O 28.3745 -17.5020 49 C5a C 11.1776 -19.8800 50 C1b C 9.9651 -20.5800 51 C1d C 8.7527 -19.8800 52 O1a O 7.5382 -20.5812 53 C1a C 9.4527 -18.6676 54 C1a C 8.0527 -18.6676 55 O5a O 11.1783 -18.4802 BOND 57 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 5 14 2 14 9 15 2 15 10 16 1 #Down 16 11 17 1 17 11 18 1 18 13 19 1 19 19 20 2 20 19 21 1 21 22 23 1 22 23 24 1 23 24 25 1 24 25 26 1 25 22 26 1 26 24 27 1 #Down 27 22 28 1 #Up 28 23 29 1 #Up 29 29 30 1 30 30 31 1 31 30 32 1 32 30 33 2 33 34 35 2 34 35 36 1 35 36 37 1 36 37 38 2 37 34 38 1 38 34 39 1 39 39 40 2 40 40 41 1 41 41 42 2 42 35 42 1 43 39 43 1 44 26 36 1 #Down 45 27 44 1 46 44 45 1 47 45 46 1 48 45 47 2 49 45 48 1 50 19 48 1 51 1 49 1 52 49 50 1 53 50 51 1 54 51 52 1 55 51 53 1 56 51 54 1 57 49 55 2 ///