@MOLECULE (3e)-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-1-methoxy-2-pyrrolidinone 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0039 -0.0786 -0.3093 O.3 1 UNL1111111111 -0.4923 2 O 5.7379 -0.5063 -0.6333 O.3 1 UNL1111111111 -0.1549 3 O 4.2743 -0.2143 1.7549 O.2 1 UNL1111111111 -0.4478 4 N 4.6207 0.3333 -0.4849 N.am 1 UNL1111111111 -0.3381 5 C -2.7250 2.5556 -0.0360 C.3 1 UNL1111111111 0.1277 6 C -2.8003 -2.5384 -0.1080 C.3 1 UNL1111111111 0.1429 7 C -2.0221 1.2302 0.1727 C.ar 1 UNL1111111111 -0.1587 8 C -2.0446 -1.2480 0.1341 C.ar 1 UNL1111111111 -0.0905 9 C -2.6828 0.0028 0.0004 C.ar 1 UNL1111111111 0.2532 10 C -0.0283 -0.0373 0.7111 C.ar 1 UNL1111111111 -0.0827 11 C -0.6773 1.1818 0.5403 C.ar 1 UNL1111111111 -0.1232 12 C -0.7039 -1.2412 0.5018 C.ar 1 UNL1111111111 -0.1316 13 C -1.7837 3.7622 0.1517 C.3 1 UNL1111111111 -0.4582 14 C -3.8642 2.7049 0.9906 C.3 1 UNL1111111111 -0.4655 15 C -3.2638 2.6291 -1.4791 C.3 1 UNL1111111111 -0.4668 16 C -1.8975 -3.7813 0.0326 C.3 1 UNL1111111111 -0.4659 17 C -3.3684 -2.5356 -1.5391 C.3 1 UNL1111111111 -0.4595 18 C -3.9341 -2.6609 0.9253 C.3 1 UNL1111111111 -0.4590 19 C 1.3768 -0.0634 1.1234 C.2 1 UNL1111111111 -0.0717 20 C 2.3881 0.0340 0.2593 C.2 1 UNL1111111111 -0.1448 21 C 2.3179 0.1763 -1.2283 C.3 1 UNL1111111111 -0.2825 22 C 3.7918 0.2140 -1.7130 C.3 1 UNL1111111111 -0.1187 23 C 3.8193 -0.0151 0.6601 C.2 1 UNL1111111111 0.5387 24 C 6.8646 0.0964 0.0040 C.3 1 UNL1111111111 -0.2393 25 H -0.1103 2.0978 0.7060 H 1 UNL1111111111 0.1636 26 H -0.1556 -2.1743 0.6361 H 1 UNL1111111111 0.1674 27 H -0.9453 3.7337 -0.5528 H 1 UNL1111111111 0.1488 28 H -1.3775 3.8042 1.1685 H 1 UNL1111111111 0.1505 29 H -2.3169 4.7044 -0.0191 H 1 UNL1111111111 0.1475 30 H -3.4677 2.6640 2.0137 H 1 UNL1111111111 0.1591 31 H -4.3795 3.6643 0.8738 H 1 UNL1111111111 0.1506 32 H -4.6210 1.9175 0.9166 H 1 UNL1111111111 0.1391 33 H -4.0232 1.8725 -1.6996 H 1 UNL1111111111 0.1402 34 H -2.4507 2.4808 -2.2011 H 1 UNL1111111111 0.1567 35 H -3.7137 3.6065 -1.6844 H 1 UNL1111111111 0.1503 36 H -2.4674 -4.6968 -0.1615 H 1 UNL1111111111 0.1469 37 H -1.0682 -3.7586 -0.6818 H 1 UNL1111111111 0.1455 38 H -1.4851 -3.8690 1.0444 H 1 UNL1111111111 0.1468 39 H -2.5844 -2.3319 -2.2746 H 1 UNL1111111111 0.1430 40 H -3.8227 -3.4996 -1.7862 H 1 UNL1111111111 0.1419 41 H -4.1456 -1.7726 -1.6663 H 1 UNL1111111111 0.1617 42 H -4.6669 -1.8520 0.8211 H 1 UNL1111111111 0.1614 43 H -3.5432 -2.6181 1.9469 H 1 UNL1111111111 0.1448 44 H -4.4752 -3.6043 0.8078 H 1 UNL1111111111 0.1424 45 H 1.5526 -0.1717 2.2006 H 1 UNL1111111111 0.1776 46 H 1.7600 -0.6592 -1.6912 H 1 UNL1111111111 0.1657 47 H 1.7780 1.0981 -1.5171 H 1 UNL1111111111 0.1653 48 H 4.0557 -0.6810 -2.3102 H 1 UNL1111111111 0.1473 49 H 3.9976 1.1041 -2.3419 H 1 UNL1111111111 0.1549 50 H -4.4433 0.8092 -0.3837 H 1 UNL1111111111 0.3313 51 H 7.0766 1.0854 -0.4107 H 1 UNL1111111111 0.1397 52 H 7.6635 -0.6149 -0.2346 H 1 UNL1111111111 0.1441 53 H 6.7054 0.1613 1.0875 H 1 UNL1111111111 0.1550 @BOND 1 1 9 1 2 1 50 1 3 2 4 1 4 2 24 1 5 3 23 2 6 4 22 1 7 4 23 am 8 5 7 1 9 5 13 1 10 5 14 1 11 5 15 1 12 6 8 1 13 6 16 1 14 6 17 1 15 6 18 1 16 7 9 ar 17 7 11 ar 18 8 9 ar 19 8 12 ar 20 10 11 ar 21 10 12 ar 22 10 19 1 23 11 25 1 24 12 26 1 25 13 27 1 26 13 28 1 27 13 29 1 28 14 30 1 29 14 31 1 30 14 32 1 31 15 33 1 32 15 34 1 33 15 35 1 34 16 36 1 35 16 37 1 36 16 38 1 37 17 39 1 38 17 40 1 39 17 41 1 40 18 42 1 41 18 43 1 42 18 44 1 43 19 20 2 44 19 45 1 45 20 21 1 46 20 23 1 47 21 22 1 48 21 46 1 49 21 47 1 50 22 48 1 51 22 49 1 52 24 51 1 53 24 52 1 54 24 53 1