@MOLECULE 8-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5097 -3.4709 -0.1423 O.2 1 UNL1111 -0.5073 2 O 3.8853 -1.1912 -0.0827 O.3 1 UNL1111 -0.3460 3 O 3.4805 1.6335 0.1631 O.3 1 UNL1111 -0.3155 4 N -3.8698 -0.2048 0.2030 N.pl3 1 UNL1111 -0.5061 5 N 0.2716 -1.1382 0.3044 N.3 1 UNL1111 -0.4238 6 N -4.4802 -2.3689 -0.4502 N.am 1 UNL1111 -0.6311 7 C -2.6142 -1.0006 0.1098 C.3 1 UNL1111 0.1703 8 C -1.7005 -0.6008 -1.0597 C.3 1 UNL1111 -0.3250 9 C -1.8902 -0.9641 1.4640 C.3 1 UNL1111 -0.2927 10 C -0.3781 -1.3841 -1.0075 C.3 1 UNL1111 -0.1052 11 C -0.5505 -1.7153 1.3971 C.3 1 UNL1111 -0.1083 12 C -3.1322 -2.4386 -0.1557 C.2 1 UNL1111 0.5551 13 C -5.0080 -1.0029 -0.3344 C.3 1 UNL1111 0.1206 14 C 1.6455 -1.6886 0.3242 C.3 1 UNL1111 -0.1445 15 C -3.9075 1.1874 0.0369 C.ar 1 UNL1111 0.2527 16 C 2.5887 -0.5908 -0.2130 C.3 1 UNL1111 0.0611 17 C 2.5103 0.6904 0.6162 C.3 1 UNL1111 -0.0935 18 C -5.1072 1.8221 -0.3433 C.ar 1 UNL1111 -0.2907 19 C -2.7944 1.9858 0.3655 C.ar 1 UNL1111 -0.2757 20 C 4.9134 -0.2978 -0.1359 C.ar 1 UNL1111 0.1283 21 C -5.1750 3.2104 -0.3987 C.ar 1 UNL1111 -0.0705 22 C -2.8815 3.3700 0.3017 C.ar 1 UNL1111 -0.0710 23 C 4.7210 1.0849 0.0069 C.ar 1 UNL1111 0.1119 24 C -4.0676 3.9925 -0.0836 C.ar 1 UNL1111 -0.2309 25 C 6.1909 -0.8230 -0.3117 C.ar 1 UNL1111 -0.1902 26 C 5.8026 1.9590 -0.0434 C.ar 1 UNL1111 -0.1881 27 C 7.2728 0.0555 -0.3543 C.ar 1 UNL1111 -0.1525 28 C 7.0803 1.4310 -0.2276 C.ar 1 UNL1111 -0.1552 29 H -1.4779 0.4853 -1.0260 H 1 UNL1111 0.1755 30 H -2.2062 -0.7721 -2.0275 H 1 UNL1111 0.1502 31 H -2.5320 -1.3977 2.2549 H 1 UNL1111 0.1556 32 H -1.7123 0.0867 1.7720 H 1 UNL1111 0.1683 33 H -0.5653 -2.4662 -1.1962 H 1 UNL1111 0.1424 34 H 0.2963 -1.0224 -1.8138 H 1 UNL1111 0.1421 35 H -0.0101 -1.5803 2.3595 H 1 UNL1111 0.1404 36 H -0.7291 -2.8074 1.2678 H 1 UNL1111 0.1453 37 H -5.3479 -0.6437 -1.3380 H 1 UNL1111 0.1379 38 H -5.8506 -0.9544 0.3994 H 1 UNL1111 0.1506 39 H 1.9510 -1.9548 1.3599 H 1 UNL1111 0.1536 40 H 1.7674 -2.6168 -0.2745 H 1 UNL1111 0.1428 41 H -5.0818 -3.1566 -0.5798 H 1 UNL1111 0.3347 42 H 2.4343 -0.3850 -1.2938 H 1 UNL1111 0.1447 43 H 1.5500 1.2231 0.4710 H 1 UNL1111 0.1774 44 H 2.6766 0.5068 1.6911 H 1 UNL1111 0.1421 45 H -5.9961 1.2513 -0.5859 H 1 UNL1111 0.1526 46 H -1.8570 1.5301 0.6839 H 1 UNL1111 0.1755 47 H -6.1095 3.6884 -0.6933 H 1 UNL1111 0.1449 48 H -2.0104 3.9743 0.5575 H 1 UNL1111 0.1497 49 H -4.1278 5.0751 -0.1339 H 1 UNL1111 0.1528 50 H 6.3283 -1.8963 -0.4152 H 1 UNL1111 0.1694 51 H 5.6428 3.0288 0.0629 H 1 UNL1111 0.1681 52 H 8.2776 -0.3395 -0.4910 H 1 UNL1111 0.1536 53 H 7.9357 2.1025 -0.2692 H 1 UNL1111 0.1536 @BOND 1 1 12 2 2 2 16 1 3 2 20 1 4 3 17 1 5 3 23 1 6 4 7 1 7 4 13 1 8 4 15 1 9 5 10 1 10 5 11 1 11 5 14 1 12 6 12 am 13 6 13 1 14 6 41 1 15 7 8 1 16 7 9 1 17 7 12 1 18 8 10 1 19 8 29 1 20 8 30 1 21 9 11 1 22 9 31 1 23 9 32 1 24 10 33 1 25 10 34 1 26 11 35 1 27 11 36 1 28 13 37 1 29 13 38 1 30 14 16 1 31 14 39 1 32 14 40 1 33 15 18 ar 34 15 19 ar 35 16 17 1 36 16 42 1 37 17 43 1 38 17 44 1 39 18 21 ar 40 18 45 1 41 19 22 ar 42 19 46 1 43 20 23 ar 44 20 25 ar 45 21 24 ar 46 21 47 1 47 22 24 ar 48 22 48 1 49 23 26 ar 50 24 49 1 51 25 27 ar 52 25 50 1 53 26 28 ar 54 26 51 1 55 27 28 ar 56 27 52 1 57 28 53 1