@MOLECULE (2r,5s,6r)-2,6-diamino-5-hydroxyheptanal 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7398 1.5016 0.3362 O.3 1 UNL11111111111 -0.5555 2 O 3.2180 -1.5460 -0.0586 O.2 1 UNL11111111111 -0.4376 3 N -3.8394 -0.2362 -0.4869 N.3 1 UNL11111111111 -0.6376 4 N 2.6678 0.8040 1.2485 N.3 1 UNL11111111111 -0.6163 5 C -1.4206 0.3992 -0.4809 C.3 1 UNL11111111111 0.0903 6 C 0.0175 -0.0712 -0.2374 C.3 1 UNL11111111111 -0.3362 7 C -2.4678 -0.7329 -0.2526 C.3 1 UNL11111111111 0.0206 8 C 1.0029 1.0522 -0.5718 C.3 1 UNL11111111111 -0.2806 9 CA 2.4581 0.7059 -0.2059 C.3 1 UNL11111111111 -0.0576 10 C -2.3977 -1.3006 1.1697 C.3 1 UNL11111111111 -0.4545 11 C 2.8100 -0.6673 -0.7755 C.2 1 UNL11111111111 0.2870 12 H -1.5360 0.8331 -1.5014 H 1 UNL11111111111 0.1392 13 H 0.1384 -0.3847 0.8175 H 1 UNL11111111111 0.1518 14 H 0.2235 -0.9734 -0.8434 H 1 UNL11111111111 0.1483 15 H -2.2746 -1.5556 -0.9892 H 1 UNL11111111111 0.1421 16 H 0.9370 1.3154 -1.6436 H 1 UNL11111111111 0.1438 17 H 0.7095 1.9786 -0.0247 H 1 UNL11111111111 0.1837 18 HA 3.1424 1.4672 -0.6785 H 1 UNL11111111111 0.1645 19 H -1.4701 -1.8536 1.3427 H 1 UNL11111111111 0.1446 20 H -3.2327 -2.0005 1.3339 H 1 UNL11111111111 0.1720 21 H -2.4898 -0.5218 1.9329 H 1 UNL11111111111 0.1430 22 H -3.9680 0.0829 -1.4337 H 1 UNL11111111111 0.2453 23 H -4.0596 0.5283 0.1360 H 1 UNL11111111111 0.2583 24 H -1.5680 1.3071 1.2794 H 1 UNL11111111111 0.3188 25 H1 3.5789 0.4525 1.5128 H 1 UNL11111111111 0.2597 26 H2 1.9747 0.2811 1.7614 H 1 UNL11111111111 0.2496 27 H 2.6840 -0.8190 -1.8523 H 1 UNL11111111111 0.1131 @BOND 1 1 5 1 2 1 24 1 3 2 11 2 4 3 7 1 5 3 22 1 6 3 23 1 7 4 9 1 8 4 25 1 9 4 26 1 10 5 6 1 11 5 7 1 12 5 12 1 13 6 8 1 14 6 13 1 15 6 14 1 16 7 10 1 17 7 15 1 18 8 9 1 19 8 16 1 20 8 17 1 21 9 11 1 22 9 18 1 23 10 19 1 24 10 20 1 25 10 21 1 26 11 27 1