@MOLECULE (3s)-3-methyl-l-norleucine 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 O1 1.7471 1.0984 -1.3784 O.3 1 <1> -0.5584 2 O2 2.0446 1.3627 0.8167 O.2 1 <1> -0.5181 3 N1 1.2913 -1.3029 1.3373 N.3 1 <1> -0.6214 4 C1 -0.2943 -0.7915 -0.5429 C.3 1 <1> -0.0884 5 C2 -1.2398 0.0038 0.3747 C.3 1 <1> -0.2951 6 C3 1.1696 -0.7668 -0.0224 C.3 1 <1> -0.0215 7 C4 -2.4850 0.4763 -0.3886 C.3 1 <1> -0.2463 8 C5 -0.7545 -2.2440 -0.6802 C.3 1 <1> -0.4455 9 C6 1.6932 0.6641 -0.0969 C.2 1 <1> 0.5780 10 C7 -3.4186 1.2582 0.5349 C.3 1 <1> -0.4398 11 H1 -0.2912 -0.3164 -1.5582 H 1 <1> 0.1533 12 H2 -1.5450 -0.6176 1.2382 H 1 <1> 0.1468 13 H3 -0.7213 0.8828 0.8036 H 1 <1> 0.1425 14 H4 1.8013 -1.4108 -0.6989 H 1 <1> 0.1787 15 H5 -2.1879 1.1078 -1.2476 H 1 <1> 0.1361 16 H6 -3.0191 -0.3911 -0.8201 H 1 <1> 0.1349 17 H7 -0.1807 -2.7794 -1.4440 H 1 <1> 0.1433 18 H8 -0.6250 -2.7921 0.2643 H 1 <1> 0.1661 19 H9 -1.8124 -2.3046 -0.9558 H 1 <1> 0.1439 20 H10 -3.7564 0.6450 1.3777 H 1 <1> 0.1431 21 H11 -2.9239 2.1445 0.9489 H 1 <1> 0.1460 22 H12 -4.3110 1.6009 -0.0005 H 1 <1> 0.1417 23 H13 0.6413 -0.8765 1.9800 H 1 <1> 0.2603 24 H14 2.2261 -1.1962 1.7057 H 1 <1> 0.2628 25 H15 2.0808 2.0252 -1.4735 H 1 <1> 0.3570 @BOND 1 1 9 1 2 1 25 1 3 2 9 2 4 3 6 1 5 3 23 1 6 3 24 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 11 1 11 5 7 1 12 5 12 1 13 5 13 1 14 6 9 1 15 6 14 1 16 7 10 1 17 7 15 1 18 7 16 1 19 8 17 1 20 8 18 1 21 8 19 1 22 10 20 1 23 10 21 1 24 10 22 1