@MOLECULE n~2~-[2-(diethylamino)ethyl]-l-glutamine 40 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2277 2.9001 0.0601 O.3 1 GLN1111111111 -0.5932 2 OXT -0.8832 1.9777 1.5699 O.2 1 GLN1111111111 -0.4702 3 OE1 -4.5880 -1.5468 -1.2357 O.2 1 GLN1111111111 -0.5352 4 N 3.5431 -0.0851 0.0252 N.3 0 UNK0 -0.4468 5 N -0.1634 -0.0480 -0.2988 N.3 1 GLN1 -0.5558 6 NE2 -4.8386 -2.0512 0.9375 N.am 1 GLN1 -0.7046 7 C 2.1624 -0.5727 0.2346 C.3 0 UNK0 -0.1185 8 CA -1.1842 0.9457 -0.6789 C.3 1 GLN1 -0.0098 9 C 1.2124 0.4888 -0.3773 C.3 0 UNK0 -0.1179 10 CB -2.5356 0.2524 -0.9419 C.3 1 GLN1 -0.2620 11 C 4.4062 -0.3240 1.1970 C.3 0 UNK0 -0.0828 12 C 4.1178 -0.5977 -1.2416 C.3 0 UNK0 -0.0872 13 CG -3.0479 -0.4960 0.2911 C.3 1 GLN1 -0.3640 14 C -1.3575 1.9277 0.4718 C.2 1 GLN1 0.6211 15 C 4.6178 -1.7935 1.5902 C.3 0 UNK0 -0.4877 16 C 5.2860 0.2964 -1.6788 C.3 0 UNK0 -0.4467 17 CD -4.2022 -1.3851 -0.0965 C.2 1 GLN1 0.5997 18 H 1.9340 -0.6654 1.3197 H 0 UNK0 0.1552 19 H 1.9781 -1.5723 -0.2069 H 0 UNK0 0.1167 20 HA -0.8930 1.5380 -1.5921 H 1 GLN1 0.1532 21 H 1.5253 0.7479 -1.4092 H 0 UNK0 0.1203 22 H 1.2804 1.4213 0.2278 H 0 UNK0 0.1634 23 H -0.2623 -0.8992 -0.8511 H 1 GLN1 0.2673 24 HB1 -3.2853 1.0065 -1.2667 H 1 GLN1 0.1732 25 HB2 -2.4462 -0.4448 -1.8020 H 1 GLN1 0.1691 26 H 5.3890 0.1583 0.9949 H 0 UNK0 0.1400 27 H 3.9609 0.2370 2.0514 H 0 UNK0 0.1420 28 H 4.4505 -1.6547 -1.1666 H 0 UNK0 0.1126 29 H 3.3262 -0.5671 -2.0232 H 0 UNK0 0.1291 30 HG1 -2.2284 -1.0999 0.7444 H 1 GLN1 0.1924 31 HG2 -3.3509 0.2213 1.0810 H 1 GLN1 0.1704 32 H 3.6682 -2.2980 1.7951 H 0 UNK0 0.1482 33 H 5.1270 -2.3534 0.7992 H 0 UNK0 0.1461 34 H 5.2328 -1.8697 2.4931 H 0 UNK0 0.1490 35 H 5.0196 1.3574 -1.5777 H 0 UNK0 0.1619 36 H 6.1797 0.1259 -1.0705 H 0 UNK0 0.1431 37 H 5.5504 0.1123 -2.7244 H 0 UNK0 0.1407 38 H -2.4064 3.5906 0.7365 H 1 GLN1 0.3544 39 HE21 -4.5682 -1.9643 1.8875 H 1 GLN1 0.3024 40 HE22 -5.6097 -2.6563 0.7386 H 1 GLN1 0.3107 @BOND 1 1 14 1 2 1 38 1 3 2 14 2 4 3 17 2 5 4 7 1 6 4 11 1 7 4 12 1 8 5 8 1 9 5 9 1 10 5 23 1 11 6 17 am 12 6 39 1 13 6 40 1 14 7 9 1 15 7 18 1 16 7 19 1 17 8 10 1 18 8 14 1 19 8 20 1 20 9 21 1 21 9 22 1 22 10 13 1 23 10 24 1 24 10 25 1 25 11 15 1 26 11 26 1 27 11 27 1 28 12 16 1 29 12 28 1 30 12 29 1 31 13 17 1 32 13 30 1 33 13 31 1 34 15 32 1 35 15 33 1 36 15 34 1 37 16 35 1 38 16 36 1 39 16 37 1