@MOLECULE FDBD02021 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0492 1.3749 -0.0716 C.3 1 UNK 0.0940 2 N -0.2143 0.0520 -0.6433 N.pl3 1 UNK -0.1150 3 C1 -1.3534 -0.5401 -0.4182 C.cat 1 UNK 0.4078 4 N1 -1.6519 -1.7212 -1.0553 N.pl3 1 UNK -0.2737 5 C2 -0.6768 -2.3307 -1.9630 C.3 1 UNK 0.0697 6 C3 -1.2533 -3.6274 -2.5349 C.3 1 UNK 0.0151 7 C4 -0.2365 -4.3106 -3.4895 C.3 1 UNK -0.0217 8 C5 -0.6534 -5.7962 -3.3489 C.3 1 UNK 0.0481 9 O -1.0282 -5.9518 -1.9709 O.3 1 UNK -0.3794 10 C6 -1.4255 -4.6880 -1.4263 C.3 1 UNK 0.0534 11 N2 -2.2565 0.0166 0.4563 N.pl3 1 UNK -0.1049 12 N3 -3.4170 -0.6859 0.8063 N.pl3 1 UNK 0.1832 13 O1 -3.3942 -1.9015 0.8800 O.2 1 UNK -0.0942 14 O2 -4.4488 -0.0811 1.0368 O.2 1 UNK -0.0942 15 H 1.0266 1.7002 -0.3609 H 1 UNK 0.0656 16 H1 -0.0071 1.3200 0.9955 H 1 UNK 0.0656 17 H2 -0.6795 2.0707 -0.4319 H 1 UNK 0.0656 18 H3 -2.5210 -2.1574 -0.9015 H 1 UNK 0.2579 19 H4 0.2234 -2.5467 -1.4265 H 1 UNK 0.0658 20 H5 -0.4616 -1.6529 -2.7625 H 1 UNK 0.0658 21 H6 -2.1704 -3.3489 -3.0106 H 1 UNK 0.0354 22 H7 0.7718 -4.1531 -3.1679 H 1 UNK 0.0292 23 H8 -0.2550 -3.9398 -4.4930 H 1 UNK 0.0292 24 H9 0.1660 -6.4406 -3.5902 H 1 UNK 0.0560 25 H10 -1.4525 -6.0525 -4.0127 H 1 UNK 0.0560 26 H11 -2.4489 -4.7295 -1.1168 H 1 UNK 0.0563 27 H12 -0.8276 -4.4413 -0.5739 H 1 UNK 0.0563 28 H13 -2.0877 0.9089 0.8365 H 1 UNK 0.2968 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 3 11 1 5 4 5 1 6 5 6 1 7 6 10 1 8 6 7 1 9 7 8 1 10 8 9 1 11 9 10 1 12 11 12 1 13 12 13 2 14 12 14 2 15 1 15 1 16 1 16 1 17 1 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 7 23 1 24 8 24 1 25 8 25 1 26 10 26 1 27 10 27 1 28 11 28 1