@MOLECULE FDBD02253 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8576 0.5329 -2.6256 C.3 1 UNK -0.0585 2 C1 3.8602 -0.9863 -2.4446 C.3 1 UNK -0.0143 3 C2 3.0495 -1.7750 -3.4750 C.3 1 UNK -0.0585 4 C3 5.1392 -1.6316 -1.9073 C.3 1 UNK -0.0011 5 C4 6.3000 -0.7221 -1.5968 C.2 1 UNK -0.0499 6 C5 7.4456 -0.8840 -2.2183 C.2 1 UNK 0.1029 7 Cl 7.6226 -2.1457 -3.3975 Cl 1 UNK -0.0708 8 Cl1 8.7828 0.1636 -1.8607 Cl 1 UNK -0.0708 9 C6 3.9014 -1.5273 -1.0140 C.3 1 UNK 0.0689 10 C7 3.9364 -0.5229 0.1090 C.2 1 UNK 0.3129 11 O 3.9315 0.6598 -0.1380 O.2 1 UNK -0.2504 12 O1 3.9729 -0.9423 1.3835 O.3 1 UNK -0.4412 13 C8 4.0052 0.0807 2.4134 C.3 1 UNK 0.2129 14 C9 2.6289 0.4292 2.8021 C.1 1 UNK 0.1123 15 N 1.5668 0.6982 3.1021 N.1 1 UNK -0.1923 16 C10 4.7502 -0.4399 3.6155 C.ar 1 UNK 0.0103 17 C11 4.6564 -1.7757 3.9611 C.ar 1 UNK -0.0538 18 C12 5.3388 -2.2567 5.0630 C.ar 1 UNK -0.0579 19 C13 6.1163 -1.4034 5.8222 C.ar 1 UNK -0.0193 20 C14 6.2121 -0.0629 5.4776 C.ar 1 UNK 0.1288 21 C15 5.5305 0.4161 4.3677 C.ar 1 UNK -0.0116 22 O2 6.9760 0.7784 6.2227 O.3 1 UNK -0.4560 23 C16 6.9550 2.1015 5.9137 C.ar 1 UNK 0.1284 24 C17 6.0098 2.9357 6.4934 C.ar 1 UNK -0.0193 25 C18 5.9906 4.2803 6.1775 C.ar 1 UNK -0.0583 26 C19 6.9118 4.7951 5.2841 C.ar 1 UNK -0.0615 27 C20 7.8544 3.9659 4.7046 C.ar 1 UNK -0.0583 28 C21 7.8822 2.6218 5.0221 C.ar 1 UNK -0.0193 29 H 2.9072 0.8452 -3.0051 H 1 UNK 0.0235 30 H1 4.6262 0.8111 -3.3160 H 1 UNK 0.0235 31 H2 4.0376 1.0048 -1.6823 H 1 UNK 0.0235 32 H3 2.1881 -1.2082 -3.7607 H 1 UNK 0.0235 33 H4 2.7386 -2.7055 -3.0478 H 1 UNK 0.0235 34 H5 3.6548 -1.9629 -4.3371 H 1 UNK 0.0235 35 H6 5.7770 -2.4289 -2.2272 H 1 UNK 0.0357 36 H7 6.1947 0.0279 -0.8958 H 1 UNK 0.0598 37 H8 3.3142 -2.2214 -0.4498 H 1 UNK 0.0425 38 H9 4.5005 0.9509 2.0363 H 1 UNK 0.0948 39 H10 4.0760 -2.4146 3.3954 H 1 UNK 0.0622 40 H11 5.2674 -3.2540 5.3187 H 1 UNK 0.0619 41 H12 6.6253 -1.7628 6.6448 H 1 UNK 0.0654 42 H13 5.6066 1.4111 4.1046 H 1 UNK 0.0658 43 H14 5.3218 2.5519 7.1600 H 1 UNK 0.0654 44 H15 5.2880 4.9012 6.6087 H 1 UNK 0.0619 45 H16 6.8958 5.7999 5.0494 H 1 UNK 0.0618 46 H17 8.5378 4.3515 4.0343 H 1 UNK 0.0619 47 H18 8.5919 2.0052 4.5966 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 9 1 7 5 6 2 8 6 7 1 9 6 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 16 1 16 14 15 3 17 16 21 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 20 22 1 24 22 23 1 25 23 28 ar 26 23 24 ar 27 24 25 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 1 29 1 32 1 30 1 33 1 31 1 34 3 32 1 35 3 33 1 36 3 34 1 37 4 35 1 38 5 36 1 39 9 37 1 40 13 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 24 43 1 46 25 44 1 47 26 45 1 48 27 46 1 49 28 47 1