@MOLECULE 128723 31 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.4779 -0.0053 -0.0164 O.3 1 noname -0.3543 2 C1 1.8505 1.3014 -0.0659 C.2 1 noname 0.1318 3 C2 0.1297 0.0115 0.0881 C.2 1 noname 0.0293 4 N1 0.7944 2.1507 -0.0010 N.2 1 noname -0.2007 5 N2 3.1236 1.7067 -0.1678 N.3 1 noname -0.0643 6 C3 -0.2839 1.3583 0.0951 C.2 1 noname 0.0444 7 C4 -0.7531 -1.0960 0.1792 C.2 1 noname 0.0028 8 C5 -1.6569 1.6881 0.1870 C.2 1 noname 0.0135 9 C6 -2.1219 -0.7315 0.2593 C.2 1 noname -0.0236 10 C7 -2.6260 0.6194 0.2530 C.2 1 noname -0.0195 11 C8 -4.0761 0.8740 0.2851 C.2 1 noname -0.0019 12 C9 -5.0938 -0.1536 0.3390 C.2 1 noname 0.0266 13 C10 -4.6177 2.2169 0.2564 C.2 1 noname -0.0378 14 C11 -5.0762 -1.5496 0.3753 C.2 1 noname 0.0522 15 C12 -6.4716 0.1176 0.3727 C.2 1 noname -0.0534 16 C13 -6.0202 2.5084 0.2887 C.2 1 noname -0.0448 17 N3 -6.3336 -2.0045 0.4277 N.2 1 noname -0.3633 18 N4 -3.9747 -2.3125 0.3601 N.3 1 noname -0.1060 19 N5 -7.1722 -1.0150 0.4269 N.3 1 noname -0.0622 20 C14 -6.9567 1.4390 0.3502 C.2 1 noname -0.0344 21 H1 3.8688 1.0259 -0.2063 H 1 noname 0.1278 22 H2 3.3381 2.6929 -0.2063 H 1 noname 0.1278 23 H3 -0.4114 -2.1311 0.1868 H 1 noname 0.0651 24 H4 -1.9594 2.7351 0.2063 H 1 noname 0.0652 25 H5 -2.8389 -1.5494 0.3311 H 1 noname 0.0630 26 H6 -3.9280 3.0595 0.2076 H 1 noname 0.0629 27 H7 -6.3732 3.5394 0.2666 H 1 noname 0.0623 28 H8 -4.0577 -3.3191 0.3544 H 1 noname 0.1258 29 H9 -3.0616 -1.8811 0.3544 H 1 noname 0.1258 30 H10 -8.1773 -1.1083 0.4617 H 1 noname 0.1755 31 H11 -8.0296 1.6291 0.3796 H 1 noname 0.0643 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 6 8 1 9 7 9 2 10 8 10 2 11 9 10 1 12 10 11 1 13 11 12 2 14 11 13 1 15 12 14 1 16 12 15 1 17 13 16 2 18 14 17 2 19 14 18 1 20 15 19 1 21 15 20 2 22 16 20 1 23 17 19 1 24 5 21 1 25 5 22 1 26 7 23 1 27 8 24 1 28 9 25 1 29 13 26 1 30 16 27 1 31 18 28 1 32 18 29 1 33 19 30 1 34 20 31 1 @SUBSTRUCTURE 1 noname 1