@MOLECULE (11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol 45 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1722 -1.5385 -0.1382 C.3 1 UNL111111111 -0.3450 2 C -3.3261 -1.1112 -1.0563 C.3 1 UNL111111111 0.1103 3 O -2.8420 -0.5028 -2.2319 O.3 1 UNL111111111 -0.5519 4 C -4.2779 -0.1339 -0.3335 C.3 1 UNL111111111 0.0415 5 O -5.0189 0.6143 -1.2663 O.3 1 UNL111111111 -0.5428 6 C -3.5541 0.8602 0.6067 C.3 1 UNL111111111 0.1042 7 O -3.9149 0.5480 1.9387 O.3 1 UNL111111111 -0.5393 8 C -2.0559 0.8610 0.4813 C.ar 1 UNL111111111 -0.1068 9 C -1.3756 2.0533 0.6438 C.ar 1 UNL111111111 -0.1281 10 C 0.0204 2.0872 0.4999 C.ar 1 UNL111111111 -0.0161 11 C 0.7248 0.8840 0.2996 C.ar 1 UNL111111111 -0.0020 12 C 0.7318 3.3377 0.5229 C.ar 1 UNL111111111 -0.1394 13 C 2.0574 3.3836 0.2474 C.ar 1 UNL111111111 -0.1507 14 C 2.7842 2.1825 -0.0720 C.ar 1 UNL111111111 0.0083 15 C 2.1305 0.9346 0.0002 C.ar 1 UNL111111111 -0.0219 16 C 4.1289 2.2439 -0.4750 C.ar 1 UNL111111111 -0.1557 17 C 4.8021 1.0846 -0.8175 C.ar 1 UNL111111111 -0.1330 18 C 4.1651 -0.1573 -0.7249 C.ar 1 UNL111111111 -0.1516 19 C 2.8469 -0.2530 -0.2880 C.ar 1 UNL111111111 -0.0051 20 C 2.1962 -1.5341 -0.0437 C.ar 1 UNL111111111 -0.0090 21 C 2.9280 -2.7315 -0.0985 C.ar 1 UNL111111111 -0.1425 22 C 2.3648 -3.9313 0.3081 C.ar 1 UNL111111111 -0.1420 23 C 1.0680 -3.9450 0.8262 C.ar 1 UNL111111111 -0.1436 24 C 0.3253 -2.7742 0.8588 C.ar 1 UNL111111111 -0.1518 25 C 0.8438 -1.5717 0.3514 C.ar 1 UNL111111111 -0.0045 26 C 0.0358 -0.3577 0.3069 C.ar 1 UNL111111111 -0.0383 27 C -1.3602 -0.3435 0.2564 C.ar 1 UNL111111111 -0.0002 28 H -2.5722 -2.0696 0.7481 H 1 UNL111111111 0.1623 29 H -1.5477 -2.2784 -0.6906 H 1 UNL111111111 0.1816 30 H -3.8836 -1.9871 -1.4610 H 1 UNL111111111 0.1517 31 H -2.1283 0.1446 -2.0367 H 1 UNL111111111 0.3299 32 H -5.0607 -0.6818 0.2443 H 1 UNL111111111 0.1612 33 H -4.5204 0.6945 -2.1142 H 1 UNL111111111 0.3351 34 H -4.0014 1.8784 0.4716 H 1 UNL111111111 0.1702 35 H -3.3406 -0.1528 2.3077 H 1 UNL111111111 0.3139 36 H -1.9171 2.9756 0.8582 H 1 UNL111111111 0.1652 37 H 0.1677 4.2400 0.7571 H 1 UNL111111111 0.1589 38 H 2.6063 4.3241 0.2504 H 1 UNL111111111 0.1557 39 H 4.6310 3.2081 -0.5267 H 1 UNL111111111 0.1544 40 H 5.8365 1.1313 -1.1558 H 1 UNL111111111 0.1523 41 H 4.7238 -1.0527 -0.9960 H 1 UNL111111111 0.1561 42 H 3.9601 -2.7222 -0.4481 H 1 UNL111111111 0.1542 43 H 2.9379 -4.8543 0.2493 H 1 UNL111111111 0.1500 44 H 0.6461 -4.8716 1.2098 H 1 UNL111111111 0.1491 45 H -0.6591 -2.7896 1.3230 H 1 UNL111111111 0.1550 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 2 3 1 5 2 4 1 6 2 30 1 7 3 31 1 8 4 5 1 9 4 32 1 10 5 33 1 11 6 4 1 12 6 34 1 13 7 6 1 14 7 35 1 15 8 6 1 16 9 8 ar 17 9 36 1 18 10 9 ar 19 11 10 ar 20 11 26 ar 21 12 10 ar 22 12 37 1 23 13 12 ar 24 13 38 1 25 14 13 ar 26 14 15 ar 27 15 11 ar 28 16 14 ar 29 16 39 1 30 17 16 ar 31 17 18 ar 32 17 40 1 33 18 19 ar 34 18 41 1 35 19 15 ar 36 19 20 ar 37 20 25 ar 38 21 20 ar 39 21 22 ar 40 21 42 1 41 22 23 ar 42 22 43 1 43 23 24 ar 44 23 44 1 45 24 45 1 46 25 26 ar 47 25 24 ar 48 26 27 ar 49 27 8 ar 50 27 1 1