@MOLECULE (8r,11s)-8-benzyl-11-sec-butyl-10,11-dihydro-6h-oxepino[2,3-d]pyrazino[1,2-a]pyrimidine-6,9(8h)-dione 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5910 -0.5981 -1.9642 O.2 1 UNL111111111 -0.4744 2 O 0.5741 2.7057 -0.6841 O.2 1 UNL111111111 -0.4727 3 O 4.3463 -0.1603 0.1383 O.3 1 UNL111111111 -0.2757 4 N 0.3585 0.4773 -0.3558 N.ar 1 UNL111111111 -0.4805 5 N -1.1410 -1.8537 -0.8007 N.am 1 UNL111111111 -0.6116 6 N 2.2218 -0.8819 0.1532 N.ar 1 UNL111111111 -0.5262 7 C 0.0128 -1.9663 0.0898 C.3 1 UNL111111111 0.0769 8 C 0.7877 -3.2913 -0.1507 C.3 1 UNL111111111 -0.1007 9 C -1.1005 0.6144 -0.5086 C.3 1 UNL111111111 0.0092 10 C 0.9255 -0.7429 -0.0610 C.ar 1 UNL111111111 0.3783 11 C -1.6855 -0.6385 -1.1637 C.2 1 UNL111111111 0.5451 12 C -0.0386 -4.5024 0.3147 C.3 1 UNL111111111 -0.2675 13 C -1.7514 0.8687 0.8667 C.3 1 UNL111111111 -0.3059 14 C 1.1981 -3.4539 -1.6143 C.3 1 UNL111111111 -0.4502 15 C 1.1601 1.6734 -0.4601 C.ar 1 UNL111111111 0.6018 16 C -0.2521 -4.5118 1.8277 C.3 1 UNL111111111 -0.4411 17 C 2.5830 1.4827 -0.2682 C.ar 1 UNL111111111 -0.3596 18 C -3.2183 1.1248 0.7075 C.ar 1 UNL111111111 0.0001 19 C 3.0422 0.2189 0.0300 C.ar 1 UNL111111111 0.4728 20 C -3.6572 2.3551 0.2139 C.ar 1 UNL111111111 -0.1551 21 C -4.1445 0.1372 1.0451 C.ar 1 UNL111111111 -0.1567 22 C 3.4177 2.6493 -0.4406 C.2 1 UNL111111111 -0.0685 23 C -5.0198 2.5920 0.0521 C.ar 1 UNL111111111 -0.1354 24 C -5.5072 0.3789 0.8834 C.ar 1 UNL111111111 -0.1395 25 C 4.6298 2.8265 0.1127 C.2 1 UNL111111111 -0.1772 26 C -5.9457 1.6046 0.3861 C.ar 1 UNL111111111 -0.1501 27 C 5.1044 0.5727 1.0394 C.2 1 UNL111111111 0.0509 28 C 5.2903 1.8957 1.0037 C.2 1 UNL111111111 -0.2093 29 H -0.3537 -1.9564 1.1617 H 1 UNL111111111 0.1673 30 H 1.7255 -3.2428 0.4702 H 1 UNL111111111 0.1809 31 H -1.3116 1.4951 -1.1926 H 1 UNL111111111 0.2178 32 H -1.4513 -2.6974 -1.2679 H 1 UNL111111111 0.3335 33 H 0.4907 -5.4302 0.0143 H 1 UNL111111111 0.1458 34 H -1.0126 -4.5431 -0.2060 H 1 UNL111111111 0.1361 35 H -1.2599 1.7486 1.3432 H 1 UNL111111111 0.1793 36 H -1.5616 0.0220 1.5545 H 1 UNL111111111 0.1529 37 H 1.7869 -2.5918 -1.9588 H 1 UNL111111111 0.1644 38 H 1.8355 -4.3369 -1.7475 H 1 UNL111111111 0.1520 39 H 0.3440 -3.5626 -2.2889 H 1 UNL111111111 0.1440 40 H -0.9303 -3.7158 2.1544 H 1 UNL111111111 0.1423 41 H 0.6937 -4.3892 2.3690 H 1 UNL111111111 0.1485 42 H -0.6918 -5.4609 2.1568 H 1 UNL111111111 0.1436 43 H -2.9349 3.1266 -0.0511 H 1 UNL111111111 0.1601 44 H -3.8084 -0.8251 1.4239 H 1 UNL111111111 0.1480 45 H 2.9769 3.4391 -1.0664 H 1 UNL111111111 0.1734 46 H -5.3616 3.5476 -0.3405 H 1 UNL111111111 0.1491 47 H -6.2288 -0.3941 1.1388 H 1 UNL111111111 0.1464 48 H 5.1840 3.7504 -0.0791 H 1 UNL111111111 0.1590 49 H -7.0093 1.7890 0.2545 H 1 UNL111111111 0.1469 50 H 5.5816 -0.1464 1.6983 H 1 UNL111111111 0.1627 51 H 6.0034 2.3505 1.7016 H 1 UNL111111111 0.1685 @BOND 1 1 11 2 2 2 15 2 3 3 19 1 4 3 27 1 5 4 9 1 6 4 10 ar 7 4 15 ar 8 5 7 1 9 5 11 am 10 5 32 1 11 6 10 ar 12 6 19 ar 13 7 8 1 14 7 10 1 15 7 29 1 16 8 12 1 17 8 14 1 18 8 30 1 19 9 11 1 20 9 13 1 21 9 31 1 22 12 16 1 23 12 33 1 24 12 34 1 25 13 18 1 26 13 35 1 27 13 36 1 28 14 37 1 29 14 38 1 30 14 39 1 31 15 17 ar 32 16 40 1 33 16 41 1 34 16 42 1 35 17 19 ar 36 17 22 1 37 18 20 ar 38 18 21 ar 39 20 23 ar 40 20 43 1 41 21 24 ar 42 21 44 1 43 22 25 2 44 22 45 1 45 23 26 ar 46 23 46 1 47 24 26 ar 48 24 47 1 49 25 28 1 50 25 48 1 51 26 49 1 52 27 28 2 53 27 50 1 54 28 51 1