@MOLECULE FDBD02791 40 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.5410 1.7124 0.3481 C.3 1 UNK -0.0397 2 C1 -0.1506 0.2458 0.1535 C.3 1 UNK 0.0555 3 C2 0.5024 -0.2821 1.4324 C.3 1 UNK -0.0397 4 C3 -1.3830 -0.5656 -0.1532 C.ar 1 UNK -0.0246 5 C4 -2.1728 -1.0392 0.8777 C.ar 1 UNK -0.0566 6 C5 -3.3032 -1.7835 0.5964 C.ar 1 UNK -0.0614 7 C6 -3.6440 -2.0537 -0.7157 C.ar 1 UNK -0.0617 8 C7 -2.8547 -1.5793 -1.7466 C.ar 1 UNK -0.0614 9 C8 -1.7266 -0.8314 -1.4655 C.ar 1 UNK -0.0566 10 N 0.7958 0.1360 -0.9594 N.am 1 UNK -0.2900 11 C9 1.9772 0.7824 -0.9056 C.2 1 UNK 0.3069 12 O 2.2575 1.4568 0.0665 O.2 1 UNK -0.2523 13 N1 2.8479 0.6814 -1.9294 N.am 1 UNK -0.2586 14 C10 2.5612 -0.2195 -3.0486 C.3 1 UNK 0.0098 15 C11 4.0258 1.4369 -1.9234 C.ar 1 UNK 0.0374 16 C12 5.0274 1.1568 -1.0031 C.ar 1 UNK -0.0402 17 C13 6.1889 1.9040 -1.0001 C.ar 1 UNK -0.0600 18 C14 6.3551 2.9301 -1.9120 C.ar 1 UNK -0.0616 19 C15 5.3595 3.2118 -2.8293 C.ar 1 UNK -0.0600 20 C16 4.1980 2.4646 -2.8413 C.ar 1 UNK -0.0402 21 H 0.3504 2.2992 0.5699 H 1 UNK 0.0253 22 H1 -1.0062 2.0885 -0.5630 H 1 UNK 0.0253 23 H2 -1.2451 1.7941 1.1761 H 1 UNK 0.0253 24 H3 -0.2017 -0.2004 2.2604 H 1 UNK 0.0253 25 H4 0.7805 -1.3269 1.2937 H 1 UNK 0.0253 26 H5 1.3938 0.3047 1.6542 H 1 UNK 0.0253 27 H6 -1.9066 -0.8281 1.9028 H 1 UNK 0.0621 28 H7 -3.9199 -2.1542 1.4018 H 1 UNK 0.0618 29 H8 -4.5268 -2.6358 -0.9355 H 1 UNK 0.0618 30 H9 -3.1207 -1.7907 -2.7718 H 1 UNK 0.0618 31 H10 -1.1099 -0.4607 -2.2709 H 1 UNK 0.0621 32 H11 0.5722 -0.4020 -1.7349 H 1 UNK 0.1511 33 H12 2.0038 0.3192 -3.8149 H 1 UNK 0.0433 34 H13 3.4977 -0.5850 -3.4699 H 1 UNK 0.0433 35 H14 1.9688 -1.0628 -2.6937 H 1 UNK 0.0433 36 H15 4.8980 0.3558 -0.2904 H 1 UNK 0.0636 37 H16 6.9681 1.6869 -0.2844 H 1 UNK 0.0618 38 H17 7.2643 3.5130 -1.9076 H 1 UNK 0.0618 39 H18 5.4921 4.0141 -3.5401 H 1 UNK 0.0618 40 H19 3.4208 2.6849 -3.5582 H 1 UNK 0.0636 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 3 1 6 2 4 1 7 2 10 1 8 3 24 1 9 3 25 1 10 3 26 1 11 4 9 ar 12 4 5 ar 13 5 6 ar 14 5 27 1 15 6 7 ar 16 6 28 1 17 7 8 ar 18 7 29 1 19 8 9 ar 20 8 30 1 21 9 31 1 22 10 11 am 23 10 32 1 24 11 12 2 25 11 13 am 26 13 14 1 27 13 15 1 28 14 33 1 29 14 34 1 30 14 35 1 31 15 20 ar 32 15 16 ar 33 16 17 ar 34 16 36 1 35 17 18 ar 36 17 37 1 37 18 19 ar 38 18 38 1 39 19 20 ar 40 19 39 1 41 20 40 1