@MOLECULE carbocromen 53 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2348 1.2059 -0.7122 O.2 1 UNL1 -0.3774 2 O 2.0525 2.3049 -1.1494 O.2 1 UNL1 -0.4089 3 O -3.8660 -0.9881 0.2463 O.3 1 UNL1 -0.2734 4 O -6.7997 0.9276 0.1135 O.3 1 UNL1 -0.4449 5 O -6.4782 -1.2319 0.6556 O.2 1 UNL1 -0.4565 6 N 5.9693 0.5361 0.0793 N.3 1 UNL1 -0.4419 7 C 4.5181 0.4336 0.3553 C.3 1 UNL1 -0.1023 8 C 3.8113 0.0550 -0.9674 C.3 1 UNL1 -0.2565 9 C 2.3410 -0.0474 -0.7409 C.ar 1 UNL1 -0.2533 10 C 1.6838 -1.1854 -0.4007 C.ar 1 UNL1 0.1786 11 C 6.6031 1.6395 0.8248 C.3 1 UNL1 -0.0840 12 C 6.6520 -0.7661 0.2670 C.3 1 UNL1 -0.0856 13 C 0.2496 -1.1525 -0.2218 C.ar 1 UNL1 -0.2758 14 C -0.4135 0.0724 -0.3967 C.ar 1 UNL1 0.3568 15 C 1.6321 1.2118 -0.8926 C.ar 1 UNL1 0.5934 16 C 2.3835 -2.4845 -0.1989 C.3 1 UNL1 -0.4636 17 C 6.5542 1.5365 2.3566 C.3 1 UNL1 -0.4886 18 C 7.9896 -0.7644 -0.4852 C.3 1 UNL1 -0.4499 19 C -0.5335 -2.2765 0.1113 C.ar 1 UNL1 -0.0050 20 C -1.8033 0.2172 -0.2559 C.ar 1 UNL1 -0.4022 21 C -2.5242 -0.9201 0.0700 C.ar 1 UNL1 0.3192 22 C -1.8998 -2.1762 0.2579 C.ar 1 UNL1 -0.3020 23 C -4.5926 0.2277 0.0767 C.3 1 UNL1 -0.1366 24 C -6.0321 -0.1693 0.3263 C.2 1 UNL1 0.5792 25 C -8.2151 0.7593 0.3055 C.3 1 UNL1 0.0163 26 C -8.7905 2.1323 0.0035 C.3 1 UNL1 -0.4630 27 H 4.1232 1.4158 0.6996 H 1 UNL1 0.1482 28 H 4.2744 -0.2999 1.1497 H 1 UNL1 0.1144 29 H 4.0513 0.8290 -1.7327 H 1 UNL1 0.1794 30 H 4.2365 -0.8778 -1.3853 H 1 UNL1 0.1502 31 H 7.6604 1.7124 0.4852 H 1 UNL1 0.1372 32 H 6.1112 2.5836 0.4919 H 1 UNL1 0.1447 33 H 6.8137 -1.0175 1.3365 H 1 UNL1 0.1095 34 H 6.0022 -1.5655 -0.1537 H 1 UNL1 0.1272 35 H 3.4765 -2.4089 -0.2985 H 1 UNL1 0.1677 36 H 2.1901 -2.8919 0.8058 H 1 UNL1 0.1684 37 H 2.0497 -3.2346 -0.9331 H 1 UNL1 0.1693 38 H 7.0101 2.4182 2.8199 H 1 UNL1 0.1491 39 H 7.0970 0.6584 2.7196 H 1 UNL1 0.1441 40 H 5.5253 1.4670 2.7240 H 1 UNL1 0.1488 41 H 8.7423 -0.1544 0.0239 H 1 UNL1 0.1432 42 H 8.3876 -1.7782 -0.5824 H 1 UNL1 0.1382 43 H 7.8629 -0.3500 -1.4949 H 1 UNL1 0.1631 44 H -0.0478 -3.2440 0.2544 H 1 UNL1 0.1547 45 H -2.2494 1.1945 -0.4059 H 1 UNL1 0.1937 46 H -2.5135 -3.0376 0.5141 H 1 UNL1 0.1837 47 H -4.4583 0.6179 -0.9527 H 1 UNL1 0.1732 48 H -4.2567 0.9840 0.8143 H 1 UNL1 0.1725 49 H -8.5701 -0.0221 -0.3895 H 1 UNL1 0.1348 50 H -8.3899 0.4359 1.3467 H 1 UNL1 0.1346 51 H -8.3860 2.8953 0.6819 H 1 UNL1 0.1608 52 H -8.5461 2.4528 -1.0183 H 1 UNL1 0.1613 53 H -9.8819 2.1341 0.1056 H 1 UNL1 0.1557 @BOND 1 29 8 1 2 43 18 1 3 30 8 1 4 2 15 2 5 52 26 1 6 8 9 1 7 8 7 1 8 47 23 1 9 37 16 1 10 15 9 ar 11 15 1 ar 12 9 10 ar 13 1 14 ar 14 42 18 1 15 18 41 1 16 18 12 1 17 45 20 1 18 10 13 ar 19 10 16 1 20 14 20 ar 21 14 13 ar 22 49 25 1 23 35 16 1 24 20 21 ar 25 13 19 ar 26 16 36 1 27 34 12 1 28 26 53 1 29 26 25 1 30 26 51 1 31 21 3 1 32 21 22 ar 33 23 3 1 34 23 24 1 35 23 48 1 36 6 12 1 37 6 7 1 38 6 11 1 39 19 44 1 40 19 22 ar 41 4 25 1 42 4 24 1 43 22 46 1 44 12 33 1 45 25 50 1 46 24 5 2 47 7 27 1 48 7 28 1 49 31 11 1 50 32 11 1 51 11 17 1 52 17 39 1 53 17 40 1 54 17 38 1