@MOLECULE 31-(dimethylamino)-5,15,25,32-tetraazaheptacyclo[28.2.2.1~5,12~.1~18,25~.0~6,11~.0~13,17~.0~19,24~]hexatriaconta-1(32),6,8,10,12(36),13(17),18(35),19,21,23,30,33-dodecaene-14,16-dione 74 80 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.5819 3.5418 0.0342 C.2 1 UNL1111111111 0.5785 2 C -1.8053 2.2595 0.2970 C.2 1 UNL1111111111 -0.0281 3 C -4.0890 1.7696 0.1845 C.2 1 UNL1111111111 0.5772 4 C -2.6815 1.2313 0.3694 C.2 1 UNL1111111111 -0.0369 5 C -2.5083 -0.1742 0.5288 C.ar 1 UNL1111111111 -0.1394 6 C -3.0445 -1.1835 -0.3517 C.ar 1 UNL1111111111 -0.0407 7 C -1.8466 -0.8398 1.5528 C.ar 1 UNL1111111111 0.0141 8 N -1.9774 -2.2142 1.3836 N.ar 1 UNL1111111111 -0.2775 9 C -0.3834 2.3503 0.3285 C.ar 1 UNL1111111111 -0.1528 10 C 0.3481 3.0119 -0.6634 C.ar 1 UNL1111111111 0.0196 11 C 1.8673 2.2386 0.8212 C.ar 1 UNL1111111111 0.0886 12 C -3.7857 -1.1372 -1.5354 C.ar 1 UNL1111111111 -0.0964 13 C -4.1347 -2.3273 -2.1481 C.ar 1 UNL1111111111 -0.1908 14 C -3.0407 -3.6563 -0.4232 C.ar 1 UNL1111111111 -0.2201 15 C -3.7681 -3.5721 -1.5961 C.ar 1 UNL1111111111 -0.1194 16 C 1.6130 0.9201 3.2319 C.ar 1 UNL1111111111 -0.1828 17 C 2.8891 1.2348 2.7188 C.ar 1 UNL1111111111 -0.1463 18 O -2.1904 4.6610 -0.1381 O.2 1 UNL1111111111 -0.4440 19 C 3.5291 2.4371 -1.9731 C.3 1 UNL1111111111 -0.2882 20 C 1.0006 -0.3442 -2.1200 C.ar 1 UNL1111111111 -0.2772 21 C 0.7991 -1.5956 -1.5425 C.ar 1 UNL1111111111 -0.0781 22 C 3.0529 -1.5350 -0.7321 C.ar 1 UNL1111111111 0.3195 23 C 1.8349 -2.2429 -0.8703 C.ar 1 UNL1111111111 -0.1150 24 C -1.1876 -3.1882 2.1231 C.3 1 UNL1111111111 -0.0783 25 C 0.2689 -3.2156 1.6202 C.3 1 UNL1111111111 -0.2941 26 C 1.7069 -3.6611 -0.4138 C.3 1 UNL1111111111 -0.2614 27 C 0.3828 -3.9692 0.2923 C.3 1 UNL1111111111 -0.2671 28 C 5.4707 -1.6168 -0.4160 C.3 1 UNL1111111111 -0.2544 29 C 0.5626 1.8753 1.2991 C.ar 1 UNL1111111111 -0.0243 30 C 0.4599 1.2484 2.5444 C.ar 1 UNL1111111111 -0.1259 31 C 3.0346 1.9049 1.5195 C.ar 1 UNL1111111111 -0.1865 32 N 1.6971 2.9582 -0.3623 N.ar 1 UNL1111111111 -0.2554 33 C 2.7530 3.5131 -1.1933 C.3 1 UNL1111111111 -0.0801 34 C 2.6132 1.5025 -2.7731 C.3 1 UNL1111111111 -0.2683 35 C 2.2738 0.2338 -2.0368 C.ar 1 UNL1111111111 0.2153 36 N 3.2659 -0.3429 -1.3307 N.ar 1 UNL1111111111 -0.4856 37 N 4.1408 -2.1106 0.0029 N.pl3 1 UNL1111111111 -0.3819 38 C 3.9425 -1.9253 1.4604 C.3 1 UNL1111111111 -0.2704 39 O -5.1495 1.2162 0.1715 O.2 1 UNL1111111111 -0.4207 40 N -3.9484 3.1737 -0.0021 N.am 1 UNL1111111111 -0.6811 41 C -2.6732 -2.4541 0.1944 C.ar 1 UNL1111111111 0.0924 42 H -1.3231 -0.4343 2.4010 H 1 UNL1111111111 0.1745 43 H -0.0243 3.5243 -1.5338 H 1 UNL1111111111 0.1733 44 H -4.0875 -0.1777 -1.9503 H 1 UNL1111111111 0.1594 45 H -4.7116 -2.3138 -3.0702 H 1 UNL1111111111 0.1504 46 H -2.7691 -4.6132 0.0064 H 1 UNL1111111111 0.1518 47 H -4.0722 -4.4827 -2.1097 H 1 UNL1111111111 0.1461 48 H 1.5480 0.4236 4.1974 H 1 UNL1111111111 0.1479 49 H 3.7694 0.9590 3.2962 H 1 UNL1111111111 0.1457 50 H 4.1565 1.8397 -1.2749 H 1 UNL1111111111 0.1799 51 H 4.2477 2.9353 -2.6516 H 1 UNL1111111111 0.1465 52 H 0.1869 0.1654 -2.6263 H 1 UNL1111111111 0.1761 53 H -0.1799 -2.0738 -1.6300 H 1 UNL1111111111 0.1712 54 H -1.6565 -4.1935 2.0294 H 1 UNL1111111111 0.1492 55 H -1.2161 -2.9245 3.2063 H 1 UNL1111111111 0.1472 56 H 0.9205 -3.6798 2.3819 H 1 UNL1111111111 0.1430 57 H 0.6398 -2.1755 1.4946 H 1 UNL1111111111 0.1659 58 H 1.8145 -4.3214 -1.3045 H 1 UNL1111111111 0.1544 59 H 2.5571 -3.9500 0.2417 H 1 UNL1111111111 0.1672 60 H -0.4628 -3.7061 -0.3752 H 1 UNL1111111111 0.1531 61 H 0.2981 -5.0585 0.4638 H 1 UNL1111111111 0.1348 62 H 5.6450 -0.5519 -0.1946 H 1 UNL1111111111 0.1367 63 H 5.5803 -1.7508 -1.5058 H 1 UNL1111111111 0.1528 64 H 6.2406 -2.2250 0.0838 H 1 UNL1111111111 0.1393 65 H -0.5230 1.0547 2.9706 H 1 UNL1111111111 0.1557 66 H 4.0115 2.1608 1.1240 H 1 UNL1111111111 0.1552 67 H 3.4596 4.0843 -0.5430 H 1 UNL1111111111 0.1501 68 H 2.3064 4.2512 -1.9009 H 1 UNL1111111111 0.1517 69 H 3.1197 1.2156 -3.7229 H 1 UNL1111111111 0.1610 70 H 1.6868 2.0311 -3.0751 H 1 UNL1111111111 0.1543 71 H 2.9376 -2.2744 1.7510 H 1 UNL1111111111 0.1493 72 H 4.0433 -0.8763 1.7855 H 1 UNL1111111111 0.1384 73 H 4.6836 -2.5398 1.9960 H 1 UNL1111111111 0.1470 74 H -4.7075 3.8075 -0.1534 H 1 UNL1111111111 0.3351 @BOND 1 1 2 1 2 1 40 am 3 1 18 2 4 2 9 1 5 2 4 2 6 3 4 1 7 3 39 2 8 3 40 am 9 4 5 1 10 5 6 ar 11 5 7 ar 12 6 41 ar 13 6 12 ar 14 7 8 ar 15 7 42 1 16 8 24 1 17 8 41 ar 18 9 10 ar 19 9 29 ar 20 10 32 ar 21 10 43 1 22 11 32 ar 23 11 31 ar 24 11 29 ar 25 12 13 ar 26 12 44 1 27 13 15 ar 28 13 45 1 29 14 15 ar 30 14 41 ar 31 14 46 1 32 15 47 1 33 16 17 ar 34 16 30 ar 35 16 48 1 36 17 31 ar 37 17 49 1 38 19 34 1 39 19 33 1 40 19 50 1 41 19 51 1 42 20 35 ar 43 20 21 ar 44 20 52 1 45 21 23 ar 46 21 53 1 47 22 37 1 48 22 36 ar 49 22 23 ar 50 23 26 1 51 24 25 1 52 24 54 1 53 24 55 1 54 25 27 1 55 25 56 1 56 25 57 1 57 26 27 1 58 26 58 1 59 26 59 1 60 27 60 1 61 27 61 1 62 28 37 1 63 28 62 1 64 28 63 1 65 28 64 1 66 29 30 ar 67 30 65 1 68 31 66 1 69 32 33 1 70 33 67 1 71 33 68 1 72 34 35 1 73 34 69 1 74 34 70 1 75 35 36 ar 76 37 38 1 77 38 71 1 78 38 72 1 79 38 73 1 80 40 74 1