@MOLECULE FDBD01394 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 10.3706 0.0400 0.0934 Cl 1 UNK -0.0758 2 S 7.6677 -1.1901 0.0860 S.2 1 UNK -0.0722 3 O 1.8007 0.9011 -1.0879 O.3 1 UNK -0.4436 4 O1 -8.6550 0.2553 0.6213 O.3 1 UNK -0.3690 5 O2 0.1775 2.4808 -0.9718 O.2 1 UNK -0.2259 6 O3 -6.2817 -2.0192 -0.7746 O.2 1 UNK -0.2727 7 O4 4.8614 -2.1152 0.1217 O.2 1 UNK -0.2696 8 N -0.2981 0.1823 -0.6724 N.am 1 UNK -0.2337 9 N1 -5.8699 0.0545 0.2606 N.am 1 UNK -0.2673 10 N2 3.8777 -0.1062 0.6485 N.am 1 UNK -0.3073 11 C 1.9156 -0.4881 -0.7495 C.3 1 UNK 0.1361 12 C1 0.4959 -1.0087 -0.8148 C.3 1 UNK 0.0616 13 C2 2.5350 -0.6071 0.6361 C.3 1 UNK 0.0506 14 C3 -1.7022 0.1501 -0.4373 C.ar 1 UNK 0.0397 15 C4 0.4969 1.3024 -0.9014 C.2 1 UNK 0.4076 16 C5 -4.4467 0.0871 0.0221 C.ar 1 UNK 0.0365 17 C6 -6.5198 1.2819 0.7382 C.3 1 UNK 0.0433 18 C7 -2.3460 -1.0689 -0.2248 C.ar 1 UNK -0.0384 19 C8 -2.4338 1.3375 -0.4195 C.ar 1 UNK -0.0384 20 C9 -3.7214 -1.1006 0.0054 C.ar 1 UNK -0.0385 21 C10 -3.8092 1.3060 -0.1892 C.ar 1 UNK -0.0385 22 C11 -7.8077 0.9980 1.4836 C.3 1 UNK 0.0644 23 C12 -6.6586 -1.0445 -0.1213 C.2 1 UNK 0.2456 24 C13 -8.1017 -1.0151 0.3701 C.3 1 UNK 0.1242 25 C14 4.9866 -0.9173 0.3825 C.2 1 UNK 0.2508 26 C15 6.2963 -0.2505 0.4005 C.ar 1 UNK 0.0752 27 C16 6.5494 1.0542 0.6445 C.ar 1 UNK -0.0411 28 C17 7.9479 1.3169 0.5731 C.ar 1 UNK -0.0355 29 C18 8.6725 0.1833 0.2769 C.ar 1 UNK 0.0787 30 H 4.0257 0.8456 0.8521 H 1 UNK 0.1492 31 H1 2.5478 -1.0531 -1.4022 H 1 UNK 0.0766 32 H2 0.3054 -1.4869 -1.7529 H 1 UNK 0.0507 33 H3 0.2845 -1.7455 -0.0683 H 1 UNK 0.0507 34 H4 1.9465 -0.0452 1.3309 H 1 UNK 0.0499 35 H5 2.5567 -1.6413 0.9098 H 1 UNK 0.0499 36 H6 -6.7396 1.9048 -0.1036 H 1 UNK 0.0491 37 H7 -5.8484 1.7649 1.4171 H 1 UNK 0.0491 38 H8 -1.8047 -1.9474 -0.2379 H 1 UNK 0.0637 39 H9 -1.9575 2.2394 -0.5767 H 1 UNK 0.0637 40 H10 -4.1995 -2.0016 0.1628 H 1 UNK 0.0637 41 H11 -4.3521 2.1835 -0.1756 H 1 UNK 0.0637 42 H12 -7.5995 0.4303 2.3664 H 1 UNK 0.0576 43 H13 -8.2803 1.9131 1.7738 H 1 UNK 0.0576 44 H14 -8.7073 -1.4924 -0.3717 H 1 UNK 0.0657 45 H15 -8.0876 -1.5100 1.3187 H 1 UNK 0.0657 46 H16 5.8289 1.7628 0.8538 H 1 UNK 0.0631 47 H17 8.3686 2.2469 0.7253 H 1 UNK 0.0638 @BOND 1 1 29 1 2 2 26 ar 3 2 29 ar 4 3 11 1 5 3 15 1 6 4 22 1 7 4 24 1 8 5 15 2 9 6 23 2 10 7 25 2 11 8 12 1 12 8 14 1 13 8 15 am 14 9 16 1 15 9 17 1 16 9 23 am 17 10 13 1 18 10 25 am 19 11 12 1 20 11 13 1 21 14 18 ar 22 14 19 ar 23 16 20 ar 24 16 21 ar 25 17 22 1 26 18 20 ar 27 19 21 ar 28 23 24 1 29 25 26 1 30 26 27 ar 31 27 28 ar 32 28 29 ar 33 10 30 1 34 11 31 1 35 12 32 1 36 12 33 1 37 13 34 1 38 13 35 1 39 17 36 1 40 17 37 1 41 18 38 1 42 19 39 1 43 20 40 1 44 21 41 1 45 22 42 1 46 22 43 1 47 24 44 1 48 24 45 1 49 27 46 1 50 28 47 1