@MOLECULE n~2~-(7-methyl-2,4-octadienoyl)asparagine 39 38 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.7215 -0.1317 0.9396 N.am 1 ASN111111111 -1.8160 2 CA 2.5316 -0.5151 -0.2126 C.3 1 ASN111111111 0.4625 3 CB 3.8548 0.2675 -0.2636 C.3 1 ASN111111111 -0.2795 4 CG 3.7046 1.6765 -0.8096 C.2 1 ASN111111111 1.4648 5 OD1 4.3877 2.0930 -1.7212 O.2 1 ASN111111111 -1.0843 6 ND2 2.8016 2.5049 -0.1766 N.am 1 ASN111111111 -0.8571 7 C 2.8938 -1.9990 -0.1369 C.2 1 ASN111111111 1.8512 8 O 3.0013 -2.7809 -1.0376 O.2 1 ASN111111111 -1.1486 9 OXT 3.1337 -2.3610 1.1506 O.3 1 ASN111111111 -1.2113 10 C 0.3533 0.1206 0.7682 C.2 0 UNK0 1.6305 11 O -0.0914 0.1715 -0.3606 O.2 0 UNK0 -1.1256 12 C -0.3921 0.3715 2.0095 C.2 0 UNK0 -0.4785 13 C -1.6935 0.7099 2.0404 C.2 0 UNK0 0.2538 14 C -2.5474 0.8801 0.8803 C.2 0 UNK0 -0.4449 15 C -3.8833 0.7917 0.9636 C.2 0 UNK0 -0.1625 16 C -4.7722 0.9058 -0.2284 C.3 0 UNK0 -0.0160 17 C -5.3958 -0.4714 -0.5547 C.3 0 UNK0 0.4716 18 C -6.5170 -0.2982 -1.5852 C.3 0 UNK0 -0.3031 19 C -4.3273 -1.4272 -1.0934 C.3 0 UNK0 -0.8007 20 H 2.1078 -0.3485 1.8484 H 1 ASN1 0.6435 21 HA 1.9420 -0.3471 -1.1694 H 1 ASN1 0.0137 22 HB1 4.3324 0.3107 0.7376 H 1 ASN1 0.0449 23 HB2 4.5872 -0.2668 -0.9164 H 1 ASN1 0.1118 24 HD21 2.6412 3.4291 -0.5225 H 1 ASN1 0.3411 25 HD22 2.1533 2.1419 0.4893 H 1 ASN1 0.3151 26 HXT 3.3833 -3.3109 1.2624 H 1 ASN1 0.5831 27 H 0.1676 0.2601 2.9380 H 0 UNK0 0.1309 28 H -2.1803 0.8700 3.0131 H 0 UNK0 0.0693 29 H -2.0480 1.0554 -0.0806 H 0 UNK0 0.4092 30 H -4.3972 0.6025 1.9063 H 0 UNK0 0.2082 31 H -4.2276 1.2856 -1.1165 H 0 UNK0 -0.0296 32 H -5.5742 1.6472 -0.0353 H 0 UNK0 -0.0309 33 H -5.8293 -0.9011 0.3802 H 0 UNK0 -0.0452 34 H -6.9777 -1.2619 -1.8308 H 0 UNK0 0.1537 35 H -7.3093 0.3592 -1.2135 H 0 UNK0 0.0311 36 H -6.1405 0.1300 -2.5211 H 0 UNK0 0.0215 37 H -3.9287 -1.0871 -2.0560 H 0 UNK0 0.2997 38 H -3.4754 -1.5053 -0.4063 H 0 UNK0 0.1664 39 H -4.7285 -2.4351 -1.2392 H 0 UNK0 0.1561 @BOND 1 1 2 1 2 1 10 am 3 1 20 1 4 2 3 1 5 2 7 1 6 2 21 1 7 3 4 1 8 3 22 1 9 3 23 1 10 4 5 2 11 4 6 am 12 6 24 1 13 6 25 1 14 7 8 2 15 7 9 1 16 9 26 1 17 10 11 2 18 10 12 1 19 12 13 2 20 12 27 1 21 13 14 1 22 13 28 1 23 14 15 2 24 14 29 1 25 15 16 1 26 15 30 1 27 16 17 1 28 16 31 1 29 16 32 1 30 17 18 1 31 17 19 1 32 17 33 1 33 18 34 1 34 18 35 1 35 18 36 1 36 19 37 1 37 19 38 1 38 19 39 1