@MOLECULE FDBD00263 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -2.9012 -2.3251 1.3735 Cl 1 UNK -0.0832 2 O 3.2092 1.1360 -0.2764 O.3 1 UNK -0.3687 3 O1 1.9542 -1.3638 0.8823 O.3 1 UNK -0.4616 4 O2 -3.8016 1.1916 1.1105 O.3 1 UNK -0.4646 5 O3 0.4980 -1.3126 2.6812 O.2 1 UNK -0.2452 6 O4 -3.8266 1.6957 -1.1488 O.2 1 UNK -0.2452 7 N 0.3522 2.4185 -0.0052 N.pl3 1 UNK -0.3187 8 N1 6.7751 0.9953 -1.1802 N.4 1 UNK 0.2202 9 C -1.1864 0.1049 0.5493 C.3 1 UNK 0.0521 10 C1 0.3030 0.2284 0.8910 C.2 1 UNK 0.0677 11 C2 -1.7901 1.4139 0.0306 C.2 1 UNK 0.0652 12 C3 0.9993 1.3492 0.5938 C.2 1 UNK 0.0448 13 C4 -1.0107 2.4836 -0.2460 C.2 1 UNK 0.0157 14 C5 -1.3910 -0.9886 -0.4597 C.ar 1 UNK -0.0168 15 C6 2.4674 1.5578 0.8507 C.3 1 UNK 0.0863 16 C7 0.9096 -0.9028 1.6115 C.2 1 UNK 0.3376 17 C8 -1.4940 3.7940 -0.8061 C.3 1 UNK -0.0260 18 C9 -3.2555 1.4569 -0.1008 C.2 1 UNK 0.3373 19 C10 -2.1521 -2.1207 -0.1679 C.ar 1 UNK 0.0450 20 C11 -0.7979 -0.8515 -1.7146 C.ar 1 UNK -0.0563 21 C12 -2.3199 -3.1154 -1.1314 C.ar 1 UNK -0.0431 22 C13 -0.9657 -1.8463 -2.6780 C.ar 1 UNK -0.0614 23 C14 -1.7266 -2.9782 -2.3863 C.ar 1 UNK -0.0604 24 C15 4.6091 1.3126 -0.0850 C.3 1 UNK 0.0878 25 C16 2.6521 -2.4738 1.4563 C.3 1 UNK 0.0900 26 C17 5.3379 0.8180 -1.3242 C.3 1 UNK -0.0114 27 C18 -5.2324 1.1965 1.1453 C.3 1 UNK 0.0820 28 C19 3.7844 -2.8743 0.5348 C.3 1 UNK -0.0306 29 H 0.9012 3.1882 -0.2797 H 1 UNK 0.1516 30 H1 7.2451 0.6581 -2.0203 H 1 UNK 0.1995 31 H2 7.1035 0.4672 -0.3717 H 1 UNK 0.1995 32 H3 6.9840 1.9848 -1.0477 H 1 UNK 0.1995 33 H4 -1.6962 -0.1342 1.4592 H 1 UNK 0.0452 34 H5 2.6535 2.5958 1.0317 H 1 UNK 0.0623 35 H6 2.7638 0.9870 1.7059 H 1 UNK 0.0623 36 H7 -0.6641 4.4589 -0.9249 H 1 UNK 0.0290 37 H8 -2.2055 4.2280 -0.1351 H 1 UNK 0.0290 38 H9 -1.9560 3.6269 -1.7566 H 1 UNK 0.0290 39 H10 -0.2348 -0.0140 -1.9304 H 1 UNK 0.0621 40 H11 -2.8831 -3.9529 -0.9157 H 1 UNK 0.0632 41 H12 -0.5269 -1.7447 -3.6065 H 1 UNK 0.0618 42 H13 -1.8507 -3.7142 -3.0989 H 1 UNK 0.0618 43 H14 4.9291 0.7521 0.7684 H 1 UNK 0.0613 44 H15 4.8268 2.3477 0.0766 H 1 UNK 0.0613 45 H16 1.9793 -3.2971 1.5767 H 1 UNK 0.0695 46 H17 3.0448 -2.1983 2.4127 H 1 UNK 0.0695 47 H18 5.1245 -0.2209 -1.4661 H 1 UNK 0.0836 48 H19 5.0042 1.3840 -2.1687 H 1 UNK 0.0836 49 H20 -5.5658 0.9780 2.1383 H 1 UNK 0.0661 50 H21 -5.6081 0.4549 0.4717 H 1 UNK 0.0661 51 H22 -5.5930 2.1603 0.8520 H 1 UNK 0.0661 52 H23 3.3871 -3.1489 -0.4200 H 1 UNK 0.0262 53 H24 4.3092 -3.7065 0.9554 H 1 UNK 0.0262 54 H25 4.4572 -2.0506 0.4177 H 1 UNK 0.0262 @BOND 1 1 19 1 2 2 15 1 3 2 24 1 4 3 16 1 5 3 25 1 6 4 18 1 7 4 27 1 8 5 16 2 9 6 18 2 10 7 12 1 11 7 13 1 12 8 26 1 13 9 10 1 14 9 11 1 15 9 14 1 16 10 12 2 17 10 16 1 18 11 13 2 19 11 18 1 20 12 15 1 21 13 17 1 22 14 19 ar 23 14 20 ar 24 19 21 ar 25 20 22 ar 26 21 23 ar 27 22 23 ar 28 24 26 1 29 25 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 8 32 1 34 9 33 1 35 15 34 1 36 15 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 20 39 1 41 21 40 1 42 22 41 1 43 23 42 1 44 24 43 1 45 24 44 1 46 25 45 1 47 25 46 1 48 26 47 1 49 26 48 1 50 27 49 1 51 27 50 1 52 27 51 1 53 28 52 1 54 28 53 1 55 28 54 1