ENTRY C00748 Compound ATOM 63 1 C8y C 26.1460 -15.8483 2 C1y C 24.9354 -15.2027 3 C8x C 27.4057 -15.3830 4 N5x N 25.9320 -17.1935 5 C1z C 23.9459 -16.1700 6 C1b C 24.9530 -13.8340 7 C8y C 28.6223 -15.8950 8 C8y C 24.5750 -17.4100 9 C1b C 22.1757 -16.6448 10 C1a C 23.4266 -14.8927 11 C1b C 23.7705 -13.1405 12 C1z C 29.7978 -15.1969 13 N4y N 28.9136 -17.2345 14 C8x C 23.9167 -18.6675 15 C6a C 21.3302 -15.6627 16 C6a C 23.7880 -11.7769 17 C1y C 30.8296 -16.1115 18 C1b C 29.7921 -13.8108 19 C1a C 28.4820 -14.4077 20 C8y C 30.2763 -17.3630 21 C8y C 24.5750 -19.9189 22 O6a O 22.5264 -10.9073 23 O6a O 24.9822 -11.1029 24 C1b C 32.1981 -16.1058 25 C6a C 30.9874 -13.1231 26 C8x C 30.7886 -18.6324 27 C8y C 23.9459 -21.1541 28 N4y N 25.9262 -20.1235 29 C1b C 32.8741 -14.9043 30 O6a O 30.9874 -11.7603 31 O6a O 32.1747 -13.8049 32 C8y C 30.2412 -19.8954 33 C8y C 24.9296 -22.1038 34 C1b C 22.6007 -21.3751 35 C8y C 26.1403 -21.4805 36 C6a C 34.2485 -14.8927 37 C8y C 30.8354 -21.1484 38 N5x N 28.8843 -20.0885 39 C1b C 24.9179 -23.4782 40 C6a C 22.1165 -22.6502 41 C8x C 27.4057 -21.9457 42 O6a O 34.9236 -13.7054 43 O6a O 34.9410 -16.0881 44 C8y C 29.8329 -22.0805 45 C1b C 32.1571 -20.7880 46 C8y C 28.6339 -21.4336 47 C1b C 23.7191 -24.1648 48 O6a O 20.7713 -22.8842 49 O6a O 22.9842 -23.7112 50 C1b C 29.9674 -23.4432 51 C6a C 33.1304 -21.7425 52 C6a C 23.7134 -25.5452 53 C1b C 31.2188 -24.0140 54 O6a O 34.4522 -21.3810 55 O6a O 32.7864 -23.0772 56 O6a O 22.5307 -26.2212 57 O6a O 24.8885 -26.2328 58 C6a C 31.3477 -25.3827 59 O6a O 30.2237 -26.1686 60 O6a O 32.6051 -25.9476 61 Z Fe 27.3236 -18.7267 62 O6a O 21.7604 -14.4438 63 O6a O 20.0612 -15.9067 BOND 68 1 1 3 1 2 1 4 2 3 2 5 1 4 2 6 1 #Down 5 3 7 2 6 4 8 1 7 5 9 1 #Up 8 5 10 1 #Down 9 6 11 1 10 7 12 1 11 7 13 1 12 8 14 2 13 9 15 1 14 11 16 1 15 12 17 1 16 12 18 1 #Up 17 12 19 1 #Down 18 13 20 1 19 14 21 1 20 16 22 1 21 16 23 2 22 17 24 1 #Down 23 18 25 1 24 20 26 2 25 21 27 2 26 21 28 1 27 24 29 1 28 25 30 1 29 25 31 2 30 26 32 1 31 27 33 1 32 27 34 1 33 28 35 1 34 29 36 1 35 32 37 1 36 32 38 2 37 33 39 1 38 34 40 1 39 35 41 1 40 36 42 1 41 36 43 2 42 37 44 2 43 37 45 1 44 38 46 1 45 39 47 1 46 40 48 1 47 40 49 2 48 44 50 1 49 45 51 1 50 47 52 1 51 50 53 1 52 51 54 1 53 51 55 2 54 52 56 1 55 52 57 2 56 53 58 1 57 58 59 1 58 58 60 2 59 5 8 1 60 17 20 1 61 33 35 2 62 41 46 2 63 44 46 1 64 13 61 1 65 28 61 1 66 15 62 2 67 1 2 1 68 15 63 1 ///