@MOLECULE l-371,257 70 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1735 -0.5519 0.9534 O.3 1 UNL11 -0.3628 2 O 5.5127 0.5172 2.2905 O.3 1 UNL11 -0.3789 3 O 0.8523 -3.9821 -0.7473 O.2 1 UNL11 -0.5101 4 O 3.6395 -0.5905 1.9683 O.2 1 UNL11 -0.4773 5 O 0.4234 -1.5338 1.4357 O.3 1 UNL11 -0.2911 6 O -8.3025 2.7651 1.0871 O.2 1 UNL11 -0.5263 7 N 1.4877 -2.0156 -1.6540 N.am 1 UNL11 -0.4920 8 N 4.6497 0.3127 0.0975 N.am 1 UNL11 -0.5326 9 N -7.6238 1.2443 -0.4390 N.am 1 UNL11 -0.4957 10 C 3.7220 -0.3385 -0.8547 C.3 1 UNL11 0.1251 11 C 2.2719 0.1340 -0.6475 C.3 1 UNL11 -0.3596 12 C 3.7911 -1.8717 -0.7178 C.3 1 UNL11 -0.3444 13 C 1.3677 -0.5528 -1.6876 C.3 1 UNL11 -0.0604 14 C 2.8721 -2.4986 -1.7838 C.3 1 UNL11 -0.0626 15 C -5.3830 -0.4970 0.1889 C.3 1 UNL11 0.1326 16 C -6.4346 -0.1498 1.2499 C.3 1 UNL11 -0.3422 17 C -5.2548 0.6152 -0.8596 C.3 1 UNL11 -0.3722 18 C 5.4517 1.3941 -0.3195 C.ar 1 UNL11 0.2279 19 C -7.7736 0.1781 0.5679 C.3 1 UNL11 -0.0694 20 C -6.6362 0.9068 -1.4716 C.3 1 UNL11 -0.0687 21 C 0.6038 -2.8056 -0.9114 C.2 1 UNL11 0.6144 22 C 4.5421 0.0334 1.4662 C.2 1 UNL11 0.7215 23 C 6.5503 1.7378 0.4929 C.ar 1 UNL11 -0.1576 24 C -0.6743 -2.1946 -0.4760 C.ar 1 UNL11 -0.3118 25 C 6.7538 0.9394 1.7314 C.3 1 UNL11 -0.0186 26 C 5.1976 2.1258 -1.4872 C.ar 1 UNL11 -0.2493 27 C -3.0762 -1.1244 0.4085 C.ar 1 UNL11 0.3514 28 C -7.7859 2.5617 0.0078 C.2 1 UNL11 0.5986 29 C -0.7541 -1.5573 0.7807 C.ar 1 UNL11 0.3379 30 C 7.3935 2.7783 0.1265 C.ar 1 UNL11 -0.0929 31 C -1.8164 -2.3122 -1.2553 C.ar 1 UNL11 0.0297 32 C -1.9482 -1.0092 1.2357 C.ar 1 UNL11 -0.4117 33 C -3.0292 -1.7728 -0.8292 C.ar 1 UNL11 -0.3958 34 C 6.0563 3.1616 -1.8450 C.ar 1 UNL11 -0.0835 35 C 7.1534 3.4868 -1.0499 C.ar 1 UNL11 -0.1990 36 C -7.4233 3.6859 -0.9212 C.3 1 UNL11 -0.5279 37 C 0.4613 -0.9269 2.7223 C.3 1 UNL11 -0.2067 38 H 4.0618 -0.0677 -1.8924 H 1 UNL11 0.1405 39 H 2.1930 1.2302 -0.7262 H 1 UNL11 0.1477 40 H 1.9320 -0.1242 0.3801 H 1 UNL11 0.1936 41 H 3.4624 -2.1940 0.2937 H 1 UNL11 0.1894 42 H 4.8257 -2.2350 -0.8331 H 1 UNL11 0.1520 43 H 0.3084 -0.2509 -1.5284 H 1 UNL11 0.1516 44 H 1.6377 -0.2160 -2.7153 H 1 UNL11 0.1356 45 H 2.8872 -3.6123 -1.6925 H 1 UNL11 0.1750 46 H 3.2301 -2.2557 -2.8080 H 1 UNL11 0.1339 47 H -5.5826 -1.4881 -0.2703 H 1 UNL11 0.1308 48 H -6.0915 0.7128 1.8579 H 1 UNL11 0.1747 49 H -6.5545 -0.9831 1.9660 H 1 UNL11 0.1628 50 H -4.5313 0.3355 -1.6463 H 1 UNL11 0.1594 51 H -4.8380 1.5243 -0.3838 H 1 UNL11 0.1662 52 H -8.1912 -0.7196 0.0609 H 1 UNL11 0.1405 53 H -8.5254 0.4936 1.3319 H 1 UNL11 0.1754 54 H -6.5665 1.7179 -2.2261 H 1 UNL11 0.1425 55 H -7.0105 0.0104 -2.0211 H 1 UNL11 0.1470 56 H 7.1911 1.5175 2.5716 H 1 UNL11 0.1628 57 H 7.3624 0.0297 1.5473 H 1 UNL11 0.1489 58 H 4.3343 1.9049 -2.1098 H 1 UNL11 0.1659 59 H 8.2436 3.0410 0.7557 H 1 UNL11 0.1549 60 H -1.7631 -2.8338 -2.2146 H 1 UNL11 0.1578 61 H -2.0343 -0.5108 2.1943 H 1 UNL11 0.1905 62 H -3.9090 -1.8792 -1.4494 H 1 UNL11 0.1657 63 H 5.8621 3.7277 -2.7562 H 1 UNL11 0.1511 64 H 7.8181 4.2959 -1.3425 H 1 UNL11 0.1556 65 H -7.9233 3.5935 -1.8940 H 1 UNL11 0.1749 66 H -6.3409 3.7497 -1.0862 H 1 UNL11 0.1706 67 H -7.7423 4.6476 -0.4837 H 1 UNL11 0.1887 68 H 0.1895 0.1304 2.6689 H 1 UNL11 0.1342 69 H -0.1681 -1.4759 3.4281 H 1 UNL11 0.1397 70 H 1.5290 -1.0371 2.9842 H 1 UNL11 0.1821 @BOND 1 1 15 1 2 1 27 1 3 2 22 1 4 2 25 1 5 3 21 2 6 4 22 2 7 5 29 1 8 5 37 1 9 6 28 2 10 7 13 1 11 7 14 1 12 7 21 am 13 8 10 1 14 8 18 1 15 8 22 am 16 9 19 1 17 9 20 1 18 9 28 am 19 10 11 1 20 10 12 1 21 10 38 1 22 11 13 1 23 11 39 1 24 11 40 1 25 12 14 1 26 12 41 1 27 12 42 1 28 13 43 1 29 13 44 1 30 14 45 1 31 14 46 1 32 15 16 1 33 15 17 1 34 15 47 1 35 16 19 1 36 16 48 1 37 16 49 1 38 17 20 1 39 17 50 1 40 17 51 1 41 18 23 ar 42 18 26 ar 43 19 52 1 44 19 53 1 45 20 54 1 46 20 55 1 47 21 24 1 48 23 25 1 49 23 30 ar 50 24 29 ar 51 24 31 ar 52 25 56 1 53 25 57 1 54 26 34 ar 55 26 58 1 56 27 32 ar 57 27 33 ar 58 28 36 1 59 29 32 ar 60 30 35 ar 61 30 59 1 62 31 33 ar 63 31 60 1 64 32 61 1 65 33 62 1 66 34 35 ar 67 34 63 1 68 35 64 1 69 36 65 1 70 36 66 1 71 36 67 1 72 37 68 1 73 37 69 1 74 37 70 1