@MOLECULE FDBD02331 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.0682 -1.6832 -0.0953 C.3 1 UNK -0.0598 2 C1 0.5407 -3.0279 -0.5999 C.3 1 UNK -0.0129 3 C2 -0.9622 -3.0511 -0.4902 C.ar 1 UNK 0.0481 4 C3 -1.5472 -3.5123 0.6838 C.ar 1 UNK 0.0139 5 C4 -0.6834 -3.9806 1.8264 C.3 1 UNK -0.0345 6 C5 -2.9243 -3.5392 0.7984 C.ar 1 UNK 0.1489 7 C6 -3.6896 -3.0889 -0.3015 C.ar 1 UNK 0.0466 8 C7 -5.0910 -3.0851 -0.2612 C.ar 1 UNK -0.0064 9 C8 -5.7962 -2.6417 -1.3450 C.ar 1 UNK 0.1321 10 C9 -5.1348 -2.1925 -2.4917 C.ar 1 UNK -0.0061 11 C10 -5.9391 -1.7090 -3.6709 C.3 1 UNK -0.0362 12 C11 -3.7765 -2.1849 -2.5589 C.ar 1 UNK -0.0292 13 C12 -3.0191 -2.6341 -1.4625 C.ar 1 UNK 0.0753 14 N -1.6820 -2.6305 -1.5029 N.ar 1 UNK -0.2511 15 O -7.1546 -2.6379 -1.3074 O.3 1 UNK -0.4557 16 C13 -7.7618 -2.9784 -0.1396 C.ar 1 UNK 0.1287 17 C14 -8.0371 -2.0041 0.8088 C.ar 1 UNK -0.0159 18 C15 -8.6539 -2.3500 1.9952 C.ar 1 UNK -0.0162 19 C16 -8.9977 -3.6716 2.2386 C.ar 1 UNK 0.1302 20 C17 -8.7220 -4.6459 1.2906 C.ar 1 UNK -0.0162 21 C18 -8.1112 -4.2991 0.1014 C.ar 1 UNK -0.0159 22 O1 -9.6045 -4.0122 3.4069 O.3 1 UNK -0.4057 23 C19 -9.9303 -5.3913 3.5907 C.3 1 UNK 0.5752 24 F -8.7612 -6.1578 3.5370 F 1 UNK -0.1328 25 F1 -10.5440 -5.5635 4.8361 F 1 UNK -0.1328 26 F2 -10.8046 -5.8028 2.5791 F 1 UNK -0.1328 27 O2 -3.5232 -3.9845 1.9317 O.3 1 UNK -0.3939 28 C20 -3.7776 -3.0716 2.8877 C.2 1 UNK 0.5154 29 O3 -3.4726 -1.9092 2.7138 O.2 1 UNK -0.2025 30 O4 -4.3697 -3.4472 4.0360 O.3 1 UNK -0.4368 31 C21 -4.6134 -2.4096 5.0220 C.3 1 UNK 0.0851 32 H 2.1352 -1.6667 -0.1732 H 1 UNK 0.0233 33 H1 0.7831 -1.5493 0.9273 H 1 UNK 0.0233 34 H2 0.6551 -0.8932 -0.6871 H 1 UNK 0.0233 35 H3 0.9538 -3.8179 -0.0081 H 1 UNK 0.0326 36 H4 0.8258 -3.1618 -1.6225 H 1 UNK 0.0326 37 H5 0.3476 -3.8867 1.5559 H 1 UNK 0.0279 38 H6 -0.9033 -5.0051 2.0432 H 1 UNK 0.0279 39 H7 -0.8811 -3.3826 2.6914 H 1 UNK 0.0279 40 H8 -5.5871 -3.4150 0.5815 H 1 UNK 0.0662 41 H9 -6.9825 -1.7842 -3.4459 H 1 UNK 0.0279 42 H10 -5.7145 -2.3107 -4.5267 H 1 UNK 0.0279 43 H11 -5.6914 -0.6887 -3.8773 H 1 UNK 0.0279 44 H12 -3.3027 -1.8503 -3.4125 H 1 UNK 0.0643 45 H13 -7.7810 -1.0209 0.6279 H 1 UNK 0.0655 46 H14 -8.8590 -1.6252 2.7006 H 1 UNK 0.0655 47 H15 -8.9733 -5.6299 1.4739 H 1 UNK 0.0655 48 H16 -7.9147 -5.0225 -0.6079 H 1 UNK 0.0655 49 H17 -5.0852 -2.8381 5.8815 H 1 UNK 0.0662 50 H18 -5.2512 -1.6605 4.6013 H 1 UNK 0.0662 51 H19 -3.6834 -1.9656 5.3099 H 1 UNK 0.0662 @BOND 1 1 2 1 2 2 3 1 3 3 14 ar 4 3 4 ar 5 4 5 1 6 4 6 ar 7 6 7 ar 8 6 27 1 9 7 13 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 9 15 1 14 10 11 1 15 10 12 ar 16 12 13 ar 17 13 14 ar 18 15 16 1 19 16 21 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 19 22 1 25 20 21 ar 26 22 23 1 27 23 24 1 28 23 25 1 29 23 26 1 30 27 28 1 31 28 29 2 32 28 30 1 33 30 31 1 34 1 32 1 35 1 33 1 36 1 34 1 37 2 35 1 38 2 36 1 39 5 37 1 40 5 38 1 41 5 39 1 42 8 40 1 43 11 41 1 44 11 42 1 45 11 43 1 46 12 44 1 47 17 45 1 48 18 46 1 49 20 47 1 50 21 48 1 51 31 49 1 52 31 50 1 53 31 51 1