@MOLECULE FDBD00079 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0203 -5.8283 0.6874 C.ar 1 UNK -0.0416 2 C1 4.5609 -6.8881 1.4736 C.ar 1 UNK -0.0548 3 C2 4.2156 -5.3135 -0.3321 C.ar 1 UNK -0.0133 4 C3 3.3005 -7.4404 1.2323 C.ar 1 UNK -0.0163 5 C4 2.9552 -5.8658 -0.5733 C.ar 1 UNK 0.1585 6 C5 2.4980 -6.9303 0.2086 C.ar 1 UNK 0.1582 7 O 2.1580 -5.3553 -1.5910 O.3 1 UNK -0.5033 8 O1 1.2451 -7.4830 -0.0304 O.3 1 UNK -0.5033 9 C6 6.4012 -5.2320 0.9425 C.3 1 UNK -0.0030 10 C7 7.4821 -5.9958 0.1507 C.3 1 UNK 0.0732 11 C8 8.8189 -5.4012 0.5079 C.2 1 UNK 0.0631 12 O2 9.5406 -6.0092 1.3437 O.co2 1 UNK -0.5479 13 O3 9.1696 -4.3324 -0.0617 O.co2 1 UNK -0.5479 14 C9 7.2160 -5.8380 -1.3611 C.3 1 UNK -0.0400 15 N 7.4267 -7.4227 0.5154 N.3 1 UNK -0.2476 16 N1 8.3685 -8.1523 -0.2134 N.3 1 UNK -0.2696 17 O4 10.2750 -6.5637 -1.9010 O.3 1 UNK -0.4105 18 H 5.1522 -7.2626 2.2320 H 1 UNK 0.0621 19 H1 4.5522 -4.5253 -0.9070 H 1 UNK 0.0658 20 H2 2.9621 -8.2254 1.8104 H 1 UNK 0.0655 21 H3 2.4661 -4.6416 -2.1142 H 1 UNK 0.2923 22 H4 0.9399 -8.1966 0.4946 H 1 UNK 0.2923 23 H5 6.6224 -5.2938 1.9875 H 1 UNK 0.0335 24 H6 6.3985 -4.2111 0.6222 H 1 UNK 0.0335 25 H7 7.2566 -4.8016 -1.6241 H 1 UNK 0.0252 26 H8 6.2474 -6.2278 -1.5954 H 1 UNK 0.0252 27 H9 7.9595 -6.3752 -1.9121 H 1 UNK 0.0252 28 H10 6.4942 -7.7842 0.3149 H 1 UNK 0.1413 29 H11 9.3029 -7.7942 -0.0159 H 1 UNK 0.1368 30 H12 8.1727 -8.0602 -1.2102 H 1 UNK 0.1368 31 H13 11.2450 -6.5637 -1.9010 H 1 UNK 0.2052 32 H14 9.9517 -5.7046 -1.5874 H 1 UNK 0.2052 @BOND 1 1 9 1 2 1 2 ar 3 1 3 ar 4 2 4 ar 5 3 5 ar 6 5 7 1 7 4 6 ar 8 6 5 ar 9 6 8 1 10 9 10 1 11 10 11 1 12 10 14 1 13 10 15 1 14 11 12 ar 15 11 13 ar 16 15 16 1 17 2 18 1 18 3 19 1 19 4 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 14 25 1 25 14 26 1 26 14 27 1 27 15 28 1 28 16 29 1 29 16 30 1 30 17 31 1 31 17 32 1