Z-matrix generated by ToolKit 1.0 1.0 1.0 90.0 90.0 90.0 35 0 S 0.0000000 0 0.000000 0 0.000000 0 0 0 0 3.0 1.0 2 S2 C 1.8177016 0 0.000000 0 0.000000 0 1 0 0 3.0 1.0 15 C3 S2 C 1.8283979 0 99.579820 0 0.000000 0 1 2 0 3.0 1.0 16 C4 S2 C3 C 1.5232339 0 109.911257 0 -170.684290 1 2 1 3 3.0 1.0 14 C2 C3 S2 C4 H 0.9813685 0 109.693939 0 121.095906 0 2 1 4 6.0 1.0 27 H7 C3 S2 C2 H 0.9572320 0 110.549365 0 -121.387389 0 2 1 4 6.0 1.0 28 H8 C3 S2 C2 C 1.4927147 0 114.065887 0 62.653100 1 3 1 2 3.0 1.0 17 C5 C4 S2 C3 H 0.9759911 0 100.970584 0 122.204015 0 3 1 7 6.0 1.0 29 H9 C4 S2 C5 H 0.9855786 0 108.004016 0 -124.221958 0 3 1 7 6.0 1.0 30 H10 C4 S2 C5 C 1.5152129 0 112.786930 0 67.443801 1 4 2 1 3.0 1.0 13 C1 C2 C3 S2 H 0.9472479 0 110.310184 0 -122.665750 0 4 2 10 6.0 1.0 25 H5 C2 C3 C1 H 0.9803862 0 108.741344 0 117.500021 0 4 2 10 6.0 1.0 26 H6 C2 C3 C1 N 1.3817147 0 118.733461 0 56.911575 1 7 3 1 3.0 1.0 9 N4 C5 C4 S2 C 1.3502925 0 125.467914 0 178.519478 0 7 3 13 3.0 1.0 18 C6 C5 C4 N4 N 1.3219948 0 114.720410 0 51.385586 1 10 4 2 3.0 1.0 7 N2 C1 C2 C3 N 1.3239387 0 116.701385 0 179.823818 0 10 4 15 3.0 1.0 8 N3 C1 C2 N2 C 1.3159161 0 111.226477 0 178.885305 0 13 7 3 3.0 1.0 19 C7 N4 C5 C4 S 1.7276900 0 110.235809 0 -177.494170 0 14 7 3 3.0 1.0 3 S3 C6 C5 C4 H 0.8888039 0 127.959634 0 -179.218947 0 14 7 18 6.0 1.0 31 H11 C6 C5 S3 S 1.6099792 0 124.015478 0 177.152771 0 15 10 4 3.0 1.0 1 S1 N2 C1 C2 H 0.8407330 0 121.656021 0 -179.639174 0 16 10 4 6.0 1.0 23 H3 N3 C1 C2 H 0.8916929 0 118.440482 0 177.399416 0 16 10 21 6.0 1.0 24 H4 N3 C1 H3 N 1.3675353 0 128.791480 0 177.813567 0 17 13 7 3.0 1.0 10 N5 C7 N4 C5 O 1.4401296 0 104.153339 0 176.990530 1 20 15 10 3.0 1.0 4 O1 S1 N2 C1 O 1.4495729 0 111.428796 0 126.708421 0 20 15 24 3.0 1.0 5 O2 S1 N2 O1 N 1.6102226 0 112.985425 0 -115.367010 0 20 15 24 3.0 1.0 6 N1 S1 N2 O1 C 1.3330201 0 119.009846 0 -2.944580 1 23 17 13 3.0 1.0 20 C8 N5 C7 N4 H 0.7875800 0 111.997720 0 59.603967 0 26 20 15 6.0 1.0 21 H1 N1 S1 N2 H 0.8628448 0 115.250209 0 -141.557264 0 26 20 28 6.0 1.0 22 H2 N1 S1 H1 N 1.3393007 0 125.228760 0 -1.576341 0 27 23 17 3.0 1.0 11 N6 C8 N5 C7 N 1.3393308 0 118.202264 0 -179.624495 0 27 23 30 3.0 1.0 12 N7 C8 N5 N6 H 0.8683326 0 116.238032 0 7.990260 0 30 27 23 6.0 1.0 32 H12 N6 C8 N5 H 0.8584227 0 119.641148 0 160.980386 0 30 27 32 6.0 1.0 33 H13 N6 C8 H12 H 0.8440167 0 123.549148 0 177.005037 0 31 27 23 6.0 1.0 34 H14 N7 C8 N5 H 0.8335209 0 114.791543 0 -157.863738 0 31 27 34 6.0 1.0 35 H15 N7 C8 H14