@MOLECULE d-(-)-norleucine 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT 2.1598 1.5358 0.3801 O.3 1 UNL11111111 -0.5573 2 O 3.0073 -0.2892 -0.5845 O.2 1 UNL11111111 -0.5142 3 N 0.7859 -1.8436 0.1657 N.3 1 UNL11111111 -0.6253 4 C -0.3756 0.3017 -0.2862 C.3 1 UNL11111111 -0.2821 5 C -1.7241 -0.1602 0.2785 C.3 1 UNL11111111 -0.2602 6 CA 0.7851 -0.4030 0.4416 C.3 1 UNL11111111 0.0005 7 C -2.8827 0.5096 -0.4706 C.3 1 UNL11111111 -0.2515 8 C -4.2280 0.0567 0.0968 C.3 1 UNL11111111 -0.4417 9 C 2.0992 0.2376 0.0015 C.2 1 UNL11111111 0.5738 10 H -0.2741 1.4004 -0.1717 H 1 UNL11111111 0.1592 11 H -0.3305 0.1009 -1.3734 H 1 UNL11111111 0.1463 12 H -1.8057 -1.2638 0.2040 H 1 UNL11111111 0.1588 13 H -1.7861 0.0680 1.3587 H 1 UNL11111111 0.1388 14 HA 0.6736 -0.2633 1.5542 H 1 UNL11111111 0.1790 15 H -2.7955 1.6104 -0.4015 H 1 UNL11111111 0.1334 16 H -2.8286 0.2674 -1.5489 H 1 UNL11111111 0.1340 17 H -4.3507 -1.0295 0.0170 H 1 UNL11111111 0.1443 18 H -5.0628 0.5222 -0.4383 H 1 UNL11111111 0.1402 19 H -4.3268 0.3218 1.1553 H 1 UNL11111111 0.1422 20 H1 1.5958 -2.3086 0.5503 H 1 UNL11111111 0.2640 21 H2 0.7332 -2.0475 -0.8209 H 1 UNL11111111 0.2608 22 HXT 3.0002 1.9904 0.1219 H 1 UNL11111111 0.3570 @BOND 1 16 7 1 2 11 4 1 3 21 3 1 4 2 9 2 5 7 15 1 6 7 8 1 7 7 5 1 8 18 8 1 9 4 10 1 10 4 5 1 11 4 6 1 12 9 1 1 13 9 6 1 14 17 8 1 15 8 19 1 16 22 1 1 17 3 6 1 18 3 20 1 19 12 5 1 20 5 13 1 21 6 14 1