@MOLECULE ns-11394 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.0672 -0.8064 -0.5186 O.3 1 UNL1111111111 -0.5731 2 N -0.6128 1.9890 -0.1377 N.ar 1 UNL1111111111 -0.3406 3 N -2.6098 2.7837 -0.8642 N.ar 1 UNL1111111111 -0.3740 4 N 2.7950 -1.4473 2.8072 N.1 1 UNL1111111111 -0.2274 5 C -4.9960 -1.5763 0.0098 C.3 1 UNL1111111111 0.3537 6 C -3.7944 -0.6562 -0.0090 C.ar 1 UNL1111111111 -0.0750 7 C -1.5245 0.9291 -0.0121 C.ar 1 UNL1111111111 0.0630 8 C -2.7798 1.4471 -0.4729 C.ar 1 UNL1111111111 0.0530 9 C -3.9223 0.6423 -0.4751 C.ar 1 UNL1111111111 -0.0857 10 C -2.5578 -1.1509 0.4637 C.ar 1 UNL1111111111 -0.1300 11 C -1.4126 -0.3744 0.4751 C.ar 1 UNL1111111111 -0.1891 12 C -4.7807 -2.7894 -0.9036 C.3 1 UNL1111111111 -0.5027 13 C -5.3585 -1.9884 1.4415 C.3 1 UNL1111111111 -0.5030 14 C 0.7738 1.9399 0.1142 C.ar 1 UNL1111111111 0.1906 15 C -1.3345 3.0891 -0.6623 C.ar 1 UNL1111111111 0.1509 16 C 1.5075 0.8140 -0.2794 C.ar 1 UNL1111111111 -0.2043 17 C 2.8756 0.7751 -0.0208 C.ar 1 UNL1111111111 0.0051 18 C 1.4027 3.0202 0.7485 C.ar 1 UNL1111111111 -0.1983 19 C 3.6506 -0.4050 -0.4308 C.ar 1 UNL1111111111 0.0231 20 C 3.5117 1.8440 0.6124 C.ar 1 UNL1111111111 -0.1669 21 C 2.7714 2.9619 0.9924 C.ar 1 UNL1111111111 -0.0936 22 C 3.8313 -1.4835 0.4459 C.ar 1 UNL1111111111 -0.0456 23 C 4.2063 -0.4539 -1.7100 C.ar 1 UNL1111111111 -0.1584 24 C 4.5738 -2.5991 0.0427 C.ar 1 UNL1111111111 -0.1041 25 C 4.9416 -1.5673 -2.1084 C.ar 1 UNL1111111111 -0.1048 26 C 5.1283 -2.6370 -1.2328 C.ar 1 UNL1111111111 -0.1602 27 C 3.2606 -1.4592 1.7476 C.1 1 UNL1111111111 0.1125 28 H -4.8739 1.0428 -0.8342 H 1 UNL1111111111 0.1961 29 H -2.5063 -2.1746 0.8355 H 1 UNL1111111111 0.1559 30 H -0.4721 -0.7557 0.8623 H 1 UNL1111111111 0.1687 31 H -5.6644 -3.4329 -0.9359 H 1 UNL1111111111 0.1452 32 H -3.9338 -3.3996 -0.5758 H 1 UNL1111111111 0.1555 33 H -4.5745 -2.4597 -1.9312 H 1 UNL1111111111 0.1678 34 H -6.2289 -2.6495 1.4651 H 1 UNL1111111111 0.1448 35 H -4.5321 -2.5058 1.9386 H 1 UNL1111111111 0.1572 36 H -5.5997 -1.1001 2.0422 H 1 UNL1111111111 0.1695 37 H -0.8651 4.0388 -0.8656 H 1 UNL1111111111 0.1884 38 H 1.0173 -0.0162 -0.7886 H 1 UNL1111111111 0.1804 39 H 0.8238 3.8864 1.0640 H 1 UNL1111111111 0.1693 40 H -6.8936 -1.3201 -0.5324 H 1 UNL1111111111 0.3175 41 H 4.5809 1.8003 0.8122 H 1 UNL1111111111 0.1620 42 H 3.2676 3.7944 1.4926 H 1 UNL1111111111 0.1585 43 H 4.0593 0.3819 -2.3949 H 1 UNL1111111111 0.1688 44 H 4.7144 -3.4355 0.7283 H 1 UNL1111111111 0.1638 45 H 5.3710 -1.6034 -3.1097 H 1 UNL1111111111 0.1559 46 H 5.7070 -3.5043 -1.5483 H 1 UNL1111111111 0.1595 @BOND 1 1 5 1 2 1 40 1 3 2 7 ar 4 2 14 1 5 2 15 ar 6 3 8 ar 7 3 15 ar 8 4 27 3 9 5 6 1 10 5 12 1 11 5 13 1 12 6 9 ar 13 6 10 ar 14 7 8 ar 15 7 11 ar 16 8 9 ar 17 9 28 1 18 10 11 ar 19 10 29 1 20 11 30 1 21 12 31 1 22 12 32 1 23 12 33 1 24 13 34 1 25 13 35 1 26 13 36 1 27 14 16 ar 28 14 18 ar 29 15 37 1 30 16 17 ar 31 16 38 1 32 17 19 1 33 17 20 ar 34 18 21 ar 35 18 39 1 36 19 22 ar 37 19 23 ar 38 20 21 ar 39 20 41 1 40 21 42 1 41 22 24 ar 42 22 27 1 43 23 25 ar 44 23 43 1 45 24 26 ar 46 24 44 1 47 25 26 ar 48 25 45 1 49 26 46 1