@MOLECULE hydroxylysinonorleucine 45 44 0 0 0 SMALL GASTEIGER @ATOM 1 O1 -4.2394 1.9847 -0.0535 O.3 1 <1> -0.5575 2 O2 -0.3416 -1.9509 -1.3551 O.3 1 <1> -0.5586 3 O3 1.9749 -1.4517 1.3188 O.3 1 <1> -0.5538 4 O4 -0.5309 -2.2577 0.8507 O.2 1 <1> -0.6150 5 O5 2.2666 -1.5989 -0.8914 O.2 1 <1> -0.6237 6 N1 -0.5920 2.3569 0.2373 N.3 1 <1> -0.5446 7 N2 -3.2917 -2.7849 0.5579 N.3 1 <1> -0.6228 8 N3 4.7709 -0.3742 -0.7533 N.3 1 <1> -0.6226 9 C1 -2.9619 1.7021 0.4701 C.3 1 <1> 0.1518 10 C2 -2.7352 0.1964 0.6554 C.3 1 <1> -0.3343 11 C3 -1.9075 2.3835 -0.4361 C.3 1 <1> -0.1776 12 C4 1.7927 2.9474 0.1536 C.3 1 <1> -0.2714 13 C5 -2.9948 -0.6159 -0.6158 C.3 1 <1> -0.2709 14 C6 0.4044 3.1978 -0.4699 C.3 1 <1> -0.1094 15 C7 2.2618 1.5259 -0.1776 C.3 1 <1> -0.2738 16 C8 3.4189 1.0851 0.7241 C.3 1 <1> -0.2827 17 C9 -2.5511 -2.0912 -0.4972 C.3 1 <1> 0.0073 18 C10 3.8896 -0.3546 0.4182 C.3 1 <1> 0.0028 19 C11 -1.0443 -2.1065 -0.2428 C.2 1 <1> 0.6258 20 C12 2.6387 -1.2028 0.1995 C.2 1 <1> 0.6286 21 H1 -3.0102 2.2111 1.4635 H 1 <1> 0.1387 22 H2 -3.3972 -0.1637 1.4691 H 1 <1> 0.1570 23 H3 -1.6930 0.0432 1.0120 H 1 <1> 0.1739 24 H4 -1.8084 1.8397 -1.4001 H 1 <1> 0.1477 25 H5 -2.2593 3.4091 -0.6824 H 1 <1> 0.1304 26 H6 1.7478 3.0925 1.2491 H 1 <1> 0.1416 27 H7 2.5144 3.6925 -0.2256 H 1 <1> 0.1355 28 H8 -2.4711 -0.1593 -1.4808 H 1 <1> 0.1551 29 H9 -4.0803 -0.6060 -0.8512 H 1 <1> 0.1597 30 H10 2.5486 1.4614 -1.2430 H 1 <1> 0.1380 31 H11 1.3924 0.8408 -0.0560 H 1 <1> 0.1673 32 H12 0.1573 4.2794 -0.4306 H 1 <1> 0.1095 33 H13 0.4154 2.9080 -1.5435 H 1 <1> 0.1430 34 H14 -0.6695 2.6432 1.2122 H 1 <1> 0.2538 35 H15 3.1097 1.1440 1.7870 H 1 <1> 0.1562 36 H16 4.2809 1.7738 0.6126 H 1 <1> 0.1647 37 H17 -2.7607 -2.6138 -1.4737 H 1 <1> 0.1754 38 H18 4.4668 -0.7579 1.2955 H 1 <1> 0.1759 39 H19 -4.4152 1.4796 -0.8698 H 1 <1> 0.3153 40 H20 -3.0595 -3.7649 0.6117 H 1 <1> 0.2598 41 H21 -3.1487 -2.3658 1.4659 H 1 <1> 0.2664 42 H22 5.0584 -1.3097 -1.0010 H 1 <1> 0.2606 43 H23 4.3391 0.0537 -1.5599 H 1 <1> 0.2623 44 H24 0.6733 -1.8662 -1.2211 H 1 <1> 0.4077 45 H25 1.0345 -1.8419 1.1859 H 1 <1> 0.4067 @BOND 1 1 9 1 2 1 39 1 3 2 19 1 4 2 44 1 5 3 20 1 6 3 45 1 7 4 19 2 8 5 20 2 9 6 11 1 10 6 14 1 11 6 34 1 12 7 17 1 13 7 40 1 14 7 41 1 15 8 18 1 16 8 42 1 17 8 43 1 18 9 10 1 19 9 11 1 20 9 21 1 21 10 13 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 14 1 27 12 15 1 28 12 26 1 29 12 27 1 30 13 17 1 31 13 28 1 32 13 29 1 33 14 32 1 34 14 33 1 35 15 16 1 36 15 30 1 37 15 31 1 38 16 18 1 39 16 35 1 40 16 36 1 41 17 19 1 42 17 37 1 43 18 20 1 44 18 38 1