@MOLECULE 4-[8-benzyl-2-hydroperoxy-2-(2-naphthylmethyl)-3-oxo-2,3,7,8-tetrahydroimidazo[1,2-a]pyrazin-6-yl]phenolate 62 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8814 3.3213 -0.8934 O.2 1 UNL111111111 -0.4241 2 C -0.5946 2.2266 -0.5102 C.2 1 UNL111111111 0.5057 3 N -1.5090 1.1924 -0.2147 N.am 1 UNL111111111 -0.4646 4 C -2.9078 1.2014 -0.2768 C.2 1 UNL111111111 -0.0933 5 C -0.7971 0.0513 0.2500 C.2 1 UNL111111111 0.3364 6 C -1.5409 -1.2210 0.5616 C.3 1 UNL111111111 0.0776 7 N -2.9951 -1.0328 0.7040 N.pl3 1 UNL111111111 -0.5420 8 C -3.6003 0.1494 0.2296 C.2 1 UNL111111111 0.1244 9 C -5.0683 0.1451 0.2697 C.ar 1 UNL111111111 -0.1202 10 C -5.7518 1.2407 0.8139 C.ar 1 UNL111111111 -0.0658 11 C -7.1383 1.2531 0.8504 C.ar 1 UNL111111111 -0.2495 12 C -7.8257 0.1487 0.3312 C.ar 1 UNL111111111 0.3075 13 C -7.1676 -0.9541 -0.2171 C.ar 1 UNL111111111 -0.3233 14 C -5.7763 -0.9450 -0.2435 C.ar 1 UNL111111111 -0.0388 15 O -9.1782 0.2283 0.4019 O.3 1 UNL111111111 -0.4723 16 C -1.2997 -2.2173 -0.6102 C.3 1 UNL111111111 -0.2979 17 C 0.0788 -2.7932 -0.5169 C.ar 1 UNL111111111 -0.0081 18 C 0.3238 -3.8782 0.3280 C.ar 1 UNL111111111 -0.1732 19 C 1.6136 -4.3903 0.4475 C.ar 1 UNL111111111 -0.1488 20 C 2.6621 -3.8227 -0.2753 C.ar 1 UNL111111111 -0.1586 21 C 2.4171 -2.7454 -1.1243 C.ar 1 UNL111111111 -0.1321 22 C 1.1273 -2.2333 -1.2490 C.ar 1 UNL111111111 -0.1215 23 N 0.4871 0.2423 0.3238 N.2 1 UNL111111111 -0.4904 24 C 0.8126 1.5845 -0.2102 C.3 1 UNL111111111 0.2265 25 O 1.5537 1.4644 -1.4027 O.3 1 UNL111111111 -0.0510 26 O 0.6518 0.9824 -2.4004 O.3 1 UNL111111111 -0.3242 27 C 1.6970 2.3998 0.7337 C.3 1 UNL111111111 -0.2862 28 C 3.1322 1.9722 0.6185 C.ar 1 UNL111111111 -0.0011 29 C 3.4874 0.6541 0.7711 C.ar 1 UNL111111111 -0.1380 30 C 4.8425 0.2530 0.6404 C.ar 1 UNL111111111 -0.0102 31 C 5.2196 -1.1137 0.7585 C.ar 1 UNL111111111 -0.1460 32 C 5.8315 1.2254 0.3786 C.ar 1 UNL111111111 -0.0083 33 C 5.4432 2.5865 0.2414 C.ar 1 UNL111111111 -0.1658 34 C 4.1263 2.9504 0.3533 C.ar 1 UNL111111111 -0.1539 35 C 7.1884 0.8178 0.2519 C.ar 1 UNL111111111 -0.1606 36 C 7.5286 -0.5046 0.3735 C.ar 1 UNL111111111 -0.1479 37 C 6.5327 -1.4825 0.6263 C.ar 1 UNL111111111 -0.1540 38 H -3.3639 2.0748 -0.7418 H 1 UNL111111111 0.1937 39 H -1.1223 -1.6660 1.5092 H 1 UNL111111111 0.1716 40 H -3.3794 -1.3861 1.5737 H 1 UNL111111111 0.3021 41 H -5.1888 2.0870 1.2119 H 1 UNL111111111 0.1617 42 H -7.6934 2.0903 1.2662 H 1 UNL111111111 0.1794 43 H -7.7222 -1.7953 -0.6163 H 1 UNL111111111 0.1621 44 H -5.2306 -1.7896 -0.6708 H 1 UNL111111111 0.1665 45 H -9.6241 -0.5666 0.0215 H 1 UNL111111111 0.3291 46 H -2.0714 -3.0144 -0.5725 H 1 UNL111111111 0.1692 47 H -1.4688 -1.7089 -1.5811 H 1 UNL111111111 0.1682 48 H -0.4899 -4.3217 0.8950 H 1 UNL111111111 0.1421 49 H 1.8029 -5.2320 1.1081 H 1 UNL111111111 0.1386 50 H 3.6684 -4.2209 -0.1767 H 1 UNL111111111 0.1429 51 H 3.2338 -2.2917 -1.6837 H 1 UNL111111111 0.1535 52 H 0.9481 -1.3741 -1.8978 H 1 UNL111111111 0.1703 53 H 0.7790 1.6945 -3.0771 H 1 UNL111111111 0.2858 54 H 1.5747 3.4818 0.5093 H 1 UNL111111111 0.1721 55 H 1.3511 2.2639 1.7837 H 1 UNL111111111 0.1805 56 H 2.7321 -0.1136 0.9754 H 1 UNL111111111 0.1945 57 H 4.4407 -1.8532 0.9477 H 1 UNL111111111 0.1611 58 H 6.2117 3.3301 0.0414 H 1 UNL111111111 0.1505 59 H 3.8296 3.9913 0.2385 H 1 UNL111111111 0.1529 60 H 7.9454 1.5740 0.0554 H 1 UNL111111111 0.1500 61 H 8.5641 -0.8242 0.2775 H 1 UNL111111111 0.1469 62 H 6.8320 -2.5247 0.7124 H 1 UNL111111111 0.1483 @BOND 1 1 2 2 2 2 3 am 3 2 24 1 4 3 4 1 5 3 5 1 6 4 8 2 7 4 38 1 8 5 6 1 9 5 23 2 10 6 7 1 11 6 16 1 12 6 39 1 13 7 8 1 14 7 40 1 15 8 9 1 16 9 10 ar 17 9 14 ar 18 10 11 ar 19 10 41 1 20 11 12 ar 21 11 42 1 22 12 13 ar 23 12 15 1 24 13 14 ar 25 13 43 1 26 14 44 1 27 15 45 1 28 16 17 1 29 16 46 1 30 16 47 1 31 17 18 ar 32 17 22 ar 33 18 19 ar 34 18 48 1 35 19 20 ar 36 19 49 1 37 20 21 ar 38 20 50 1 39 21 22 ar 40 21 51 1 41 22 52 1 42 23 24 1 43 24 25 1 44 24 27 1 45 25 26 1 46 26 53 1 47 27 28 1 48 27 54 1 49 27 55 1 50 28 29 ar 51 28 34 ar 52 29 30 ar 53 29 56 1 54 30 31 ar 55 30 32 ar 56 31 37 ar 57 31 57 1 58 32 33 ar 59 32 35 ar 60 33 34 ar 61 33 58 1 62 34 59 1 63 35 36 ar 64 35 60 1 65 36 37 ar 66 36 61 1 67 37 62 1