@MOLECULE n-[(1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl)carbonyl]alanine 66 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4662 3.4063 -2.5260 O.3 1 UNL1111111111 -0.5249 2 O -2.6489 3.3916 0.5688 O.3 1 UNL1111111111 -0.3288 3 O 0.3096 -1.1030 -0.4372 O.3 1 UNL1111111111 -0.4572 4 O 2.4828 -0.4657 0.9087 O.3 1 UNL1111111111 -0.5050 5 O -4.3600 1.5303 1.8964 O.2 1 UNL1111111111 -0.3945 6 O -1.7150 -2.4737 0.5682 O.2 1 UNL1111111111 -0.3570 7 O -6.5804 0.7998 0.5127 O.3 1 UNL1111111111 -0.4160 8 O 6.2016 0.3841 0.8588 O.2 1 UNL1111111111 -0.5468 9 O -6.2508 -3.6891 -1.2433 O.3 1 UNL1111111111 -0.2954 10 O 4.8707 -3.8571 -0.6624 O.3 1 UNL1111111111 -0.5603 11 OXT 7.0865 -3.9964 -0.4635 O.2 1 UNL1111111111 -0.4995 12 N 4.9038 -1.3869 0.3330 N.am 1 UNL1111111111 -0.5803 13 C -0.5243 2.4219 0.0936 C.ar 1 UNL1111111111 0.0012 14 C 0.0409 3.7762 -0.1635 C.3 1 UNL1111111111 -0.3400 15 C 1.0813 3.7068 -1.2981 C.3 1 UNL1111111111 0.1445 16 C 0.2751 1.2894 -0.1074 C.ar 1 UNL1111111111 -0.0942 17 C 2.1213 2.6605 -0.9611 C.ar 1 UNL1111111111 0.0566 18 C 1.7034 1.4727 -0.3312 C.ar 1 UNL1111111111 -0.2230 19 C -1.8687 2.2703 0.4772 C.ar 1 UNL1111111111 0.1765 20 C -0.3633 0.0369 -0.1004 C.ar 1 UNL1111111111 0.2342 21 C -2.4440 1.0108 0.6122 C.ar 1 UNL1111111111 -0.1268 22 C -1.6916 -0.1224 0.2836 C.ar 1 UNL1111111111 -0.1755 23 C 2.7121 0.6204 0.1440 C.ar 1 UNL1111111111 0.3503 24 C 3.4557 2.9129 -1.2255 C.ar 1 UNL1111111111 -0.2797 25 C 4.0767 0.8705 -0.0932 C.ar 1 UNL1111111111 -0.2904 26 C 4.4483 2.0148 -0.8051 C.ar 1 UNL1111111111 0.1996 27 C -3.8580 0.8278 1.0583 C.2 1 UNL1111111111 0.5073 28 C -2.3220 -1.4625 0.3334 C.2 1 UNL1111111111 0.4577 29 C -4.5372 -0.3199 0.4356 C.ar 1 UNL1111111111 -0.3112 30 C -3.7980 -1.4617 0.0859 C.ar 1 UNL1111111111 0.0263 31 C 5.8720 2.3076 -1.1049 C.3 1 UNL1111111111 -0.4712 32 C 5.1372 -0.0260 0.4354 C.2 0 ACE0 0.6283 33 C -5.9149 -0.3264 0.1947 C.ar 1 UNL1 0.3992 34 C -4.3977 -2.5727 -0.4671 C.ar 1 UNL1 -0.2789 35 C -5.7937 -2.5436 -0.6951 C.ar 1 UNL1 0.3374 36 C -6.5663 -1.4326 -0.3749 C.ar 1 UNL1 -0.4655 37 C -2.6668 3.9538 1.8815 C.3 1 UNL1 -0.1925 38 CA 5.8753 -2.3345 0.8679 C.3 1 UNL1 0.0551 39 CB 5.4152 -2.9552 2.1903 C.3 1 UNL1 -0.4735 40 C 6.0607 -3.4616 -0.1438 C.2 1 UNL1 0.6103 41 C -7.6466 -3.7873 -1.5028 C.3 1 UNL1 -0.2050 42 H -0.7632 4.4938 -0.4482 H 1 UNL1 0.1907 43 H 0.5044 4.1921 0.7556 H 1 UNL1 0.1733 44 H 1.5309 4.7079 -1.4988 H 1 UNL1 0.1552 45 H 3.7455 3.8190 -1.7554 H 1 UNL1 0.1719 46 H -0.0161 2.5529 -2.4761 H 1 UNL1 0.3192 47 H 6.0123 3.1623 -1.7768 H 1 UNL1 0.1554 48 H 6.4322 2.5201 -0.1720 H 1 UNL1 0.1985 49 H 6.3870 1.4419 -1.5544 H 1 UNL1 0.1808 50 H 0.9016 -0.9503 -1.2238 H 1 UNL1 0.3386 51 H -3.8247 -3.4653 -0.7189 H 1 UNL1 0.1962 52 H 1.5514 -0.8220 0.8467 H 1 UNL1 0.3731 53 H -7.6323 -1.4068 -0.5509 H 1 UNL1 0.1741 54 H -1.6720 4.3063 2.1628 H 1 UNL1 0.1206 55 H -3.0577 3.2314 2.6096 H 1 UNL1 0.1595 56 H -3.3696 4.7882 1.7660 H 1 UNL1 0.1494 57 H 3.9693 -1.7386 0.1649 H 1 UNL1 0.3339 58 HA 6.8725 -1.8150 1.0070 H 1 UNL1 0.2022 59 H -7.5523 0.7341 0.3251 H 1 UNL1 0.3244 60 HB1 6.1576 -3.6591 2.5855 H 1 UNL1 0.1616 61 HB2 5.2653 -2.1755 2.9514 H 1 UNL1 0.1727 62 HB3 4.4632 -3.4921 2.0845 H 1 UNL1 0.1657 63 H -8.2225 -3.7155 -0.5749 H 1 UNL1 0.1392 64 H -7.7294 -4.7979 -1.9286 H 1 UNL1 0.1592 65 H -7.9619 -3.0376 -2.2350 H 1 UNL1 0.1378 66 H 4.9502 -4.5834 -1.3285 H 1 UNL1 0.3553 @BOND 1 1 15 1 2 1 46 1 3 2 19 1 4 2 37 1 5 3 20 1 6 3 50 1 7 4 23 1 8 4 52 1 9 5 27 2 10 6 28 2 11 7 33 1 12 7 59 1 13 8 32 2 14 9 35 1 15 9 41 1 16 10 40 1 17 10 66 1 18 11 40 2 19 12 32 am 20 12 38 1 21 12 57 1 22 13 14 1 23 13 16 ar 24 13 19 ar 25 14 15 1 26 14 42 1 27 14 43 1 28 15 17 1 29 15 44 1 30 16 18 1 31 16 20 ar 32 17 18 ar 33 17 24 ar 34 18 23 ar 35 19 21 ar 36 20 22 ar 37 21 22 ar 38 21 27 1 39 22 28 1 40 23 25 ar 41 24 26 ar 42 24 45 1 43 25 26 ar 44 25 32 1 45 26 31 1 46 27 29 1 47 28 30 1 48 29 30 ar 49 29 33 ar 50 30 34 ar 51 31 47 1 52 31 48 1 53 31 49 1 54 33 36 ar 55 34 35 ar 56 34 51 1 57 35 36 ar 58 36 53 1 59 37 54 1 60 37 55 1 61 37 56 1 62 38 39 1 63 38 40 1 64 38 58 1 65 39 60 1 66 39 61 1 67 39 62 1 68 41 63 1 69 41 64 1 70 41 65 1