@MOLECULE FDBD02225 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8725 1.3899 -0.1268 C.3 1 UNK -0.0597 2 C1 1.3997 1.0645 -0.3835 C.3 1 UNK -0.0085 3 C2 1.2999 -0.0439 -1.3998 C.ar 1 UNK 0.0985 4 C3 1.2270 0.1155 -2.7868 C.ar 1 UNK 0.1437 5 C4 1.1492 -1.1693 -3.2994 C.ar 1 UNK 0.3127 6 C5 1.0542 -1.5503 -4.7163 C.2 1 UNK 0.3125 7 O -0.0335 -1.6143 -5.2573 O.2 1 UNK -0.2635 8 N 2.1721 -1.8286 -5.4157 N.am 1 UNK -0.3022 9 C6 2.0717 -2.3199 -6.7923 C.3 1 UNK 0.0373 10 C7 3.4543 -2.5520 -7.3449 C.ar 1 UNK -0.0303 11 C8 4.1184 -1.5303 -7.9975 C.ar 1 UNK -0.0568 12 C9 5.3867 -1.7432 -8.5044 C.ar 1 UNK -0.0578 13 C10 5.9911 -2.9778 -8.3584 C.ar 1 UNK -0.0420 14 C11 5.3274 -3.9994 -7.7050 C.ar 1 UNK -0.0578 15 C12 4.0608 -3.7851 -7.1943 C.ar 1 UNK -0.0568 16 C13 7.3733 -3.2103 -8.9119 C.3 1 UNK -0.0127 17 C14 8.3556 -2.2380 -8.2557 C.3 1 UNK -0.0560 18 C15 7.8055 -4.6482 -8.6174 C.3 1 UNK -0.0560 19 C16 7.3622 -2.9808 -10.4245 C.3 1 UNK -0.0560 20 N1 1.1786 -2.0118 -2.2227 N.ar 1 UNK -0.1044 21 C17 1.1200 -3.4739 -2.2930 C.3 1 UNK 0.1648 22 N2 1.2719 -1.3260 -1.1408 N.ar 1 UNK -0.1654 23 Cl 1.2328 1.6057 -3.6772 Cl 1 UNK -0.0745 24 H 2.9434 2.1768 0.5947 H 1 UNK 0.0233 25 H1 3.3335 1.7014 -1.0408 H 1 UNK 0.0233 26 H2 3.3706 0.5190 0.2452 H 1 UNK 0.0233 27 H3 0.9016 1.9354 -0.7555 H 1 UNK 0.0327 28 H4 0.9387 0.7530 0.5305 H 1 UNK 0.0327 29 H5 3.0562 -1.7018 -5.0016 H 1 UNK 0.1495 30 H6 1.5643 -1.5948 -7.3937 H 1 UNK 0.0512 31 H7 1.5240 -3.2390 -6.8039 H 1 UNK 0.0512 32 H8 3.6673 -0.6085 -8.1063 H 1 UNK 0.0621 33 H9 5.8823 -0.9804 -8.9918 H 1 UNK 0.0621 34 H10 5.7775 -4.9220 -7.5985 H 1 UNK 0.0621 35 H11 3.5680 -4.5457 -6.7006 H 1 UNK 0.0621 36 H12 8.3633 -2.3985 -7.1978 H 1 UNK 0.0238 37 H13 8.0534 -1.2324 -8.4617 H 1 UNK 0.0238 38 H14 9.3370 -2.4031 -8.6487 H 1 UNK 0.0238 39 H15 7.8133 -4.8087 -7.5595 H 1 UNK 0.0238 40 H16 8.7869 -4.8132 -9.0104 H 1 UNK 0.0238 41 H17 7.1185 -5.3282 -9.0763 H 1 UNK 0.0238 42 H18 7.0600 -1.9753 -10.6305 H 1 UNK 0.0238 43 H19 6.6752 -3.6608 -10.8834 H 1 UNK 0.0238 44 H20 8.3436 -3.1458 -10.8175 H 1 UNK 0.0238 45 H21 1.0445 -3.7791 -3.3158 H 1 UNK 0.1016 46 H22 0.2650 -3.8230 -1.7526 H 1 UNK 0.1016 47 H23 2.0077 -3.8876 -1.8620 H 1 UNK 0.1016 48 H24 1.3164 -1.7135 -0.2369 H 1 UNK 0.2362 @BOND 1 1 2 1 2 2 3 1 3 3 22 ar 4 3 4 ar 5 4 5 ar 6 4 23 1 7 5 6 1 8 5 20 ar 9 6 7 2 10 6 8 am 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 13 16 1 19 14 15 ar 20 16 17 1 21 16 18 1 22 16 19 1 23 20 21 1 24 20 22 ar 25 1 24 1 26 1 25 1 27 1 26 1 28 2 27 1 29 2 28 1 30 8 29 1 31 9 30 1 32 9 31 1 33 11 32 1 34 12 33 1 35 14 34 1 36 15 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 18 41 1 43 19 42 1 44 19 43 1 45 19 44 1 46 21 45 1 47 21 46 1 48 21 47 1 49 22 48 1