@MOLECULE FDBD00035 48 47 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.2434 -2.9429 -0.3646 P.3 1 UNK 0.2129 2 O 0.9628 0.7538 -0.0505 O.3 1 UNK -0.4555 3 O1 -0.0672 -1.8406 -0.2443 O.3 1 UNK -0.3236 4 O2 3.6211 0.0785 0.3634 O.3 1 UNK -0.4608 5 O3 -2.6148 -2.1204 -0.1129 O.3 1 UNK -0.3214 6 O4 -1.2648 -3.2755 -1.9486 O.co2 1 UNK -0.4373 7 O5 -1.0650 -4.1491 0.5123 O.2 1 UNK -0.5172 8 O6 -0.0108 2.0365 1.6017 O.2 1 UNK -0.2508 9 O7 5.1278 -1.5369 -0.3027 O.2 1 UNK -0.2509 10 O8 -3.6295 -0.2913 1.8371 O.co2 1 UNK -0.5441 11 O9 -4.3064 1.6634 0.8966 O.co2 1 UNK -0.5441 12 N -4.7720 0.4823 -1.4965 N.4 1 UNK 0.2266 13 C 1.3096 -0.2378 0.9218 C.3 1 UNK 0.1604 14 C1 0.1670 -1.2415 1.0260 C.3 1 UNK 0.0951 15 C2 2.6003 -0.9083 0.4695 C.3 1 UNK 0.1315 16 C3 0.0091 2.7888 -0.7111 C.3 1 UNK 0.0447 17 C4 0.3003 1.8459 0.4341 C.2 1 UNK 0.3075 18 C5 -0.7560 4.0273 -0.2513 C.3 1 UNK -0.0458 19 C6 -2.8984 -0.9620 -0.8789 C.3 1 UNK 0.1028 20 C7 -4.2420 -0.3833 -0.4443 C.3 1 UNK 0.0402 21 C8 -1.0146 4.9829 -1.4047 C.3 1 UNK -0.0648 22 C9 4.8495 -0.3758 -0.0365 C.2 1 UNK 0.3069 23 C10 5.8120 0.7869 -0.0988 C.3 1 UNK 0.0421 24 C11 -4.0800 0.4654 0.8022 C.2 1 UNK 0.0916 25 C12 7.2055 0.3535 -0.5190 C.3 1 UNK -0.0552 26 H -4.8937 -0.0587 -2.3526 H 1 UNK 0.2001 27 H1 -4.1199 1.2477 -1.6677 H 1 UNK 0.2001 28 H2 -5.6722 0.8618 -1.2033 H 1 UNK 0.2001 29 H3 1.4634 0.1944 1.8885 H 1 UNK 0.0792 30 H4 0.4248 -2.0007 1.7345 H 1 UNK 0.0602 31 H5 -0.7195 -0.7351 1.3462 H 1 UNK 0.0602 32 H6 2.8900 -1.6490 1.1853 H 1 UNK 0.0736 33 H7 2.4508 -1.3782 -0.4801 H 1 UNK 0.0736 34 H8 -0.5765 2.2729 -1.4431 H 1 UNK 0.0377 35 H9 0.9439 3.1106 -1.1203 H 1 UNK 0.0377 36 H10 -0.1818 4.5328 0.4968 H 1 UNK 0.0268 37 H11 -1.7001 3.7119 0.1413 H 1 UNK 0.0268 38 H12 -2.9401 -1.2213 -1.9162 H 1 UNK 0.0625 39 H13 -2.1292 -0.2344 -0.7247 H 1 UNK 0.0625 40 H14 -4.9037 -1.2016 -0.2508 H 1 UNK 0.0938 41 H15 -0.0812 5.3108 -1.8123 H 1 UNK 0.0230 42 H16 -1.5659 5.8287 -1.0503 H 1 UNK 0.0230 43 H17 -1.5788 4.4819 -2.1634 H 1 UNK 0.0230 44 H18 5.8688 1.2400 0.8689 H 1 UNK 0.0375 45 H19 5.4473 1.4775 -0.8302 H 1 UNK 0.0375 46 H20 7.5947 -0.3395 0.1974 H 1 UNK 0.0235 47 H21 7.8449 1.2099 -0.5707 H 1 UNK 0.0235 48 H22 7.1587 -0.1152 -1.4797 H 1 UNK 0.0235 @BOND 1 1 3 1 2 1 5 1 3 1 6 1 4 1 7 2 5 2 13 1 6 2 17 1 7 3 14 1 8 4 15 1 9 4 22 1 10 5 19 1 11 8 17 2 12 9 22 2 13 10 24 ar 14 11 24 ar 15 12 20 1 16 13 14 1 17 13 15 1 18 16 17 1 19 16 18 1 20 18 21 1 21 19 20 1 22 20 24 1 23 22 23 1 24 23 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 18 36 1 36 18 37 1 37 19 38 1 38 19 39 1 39 20 40 1 40 21 41 1 41 21 42 1 42 21 43 1 43 23 44 1 44 23 45 1 45 25 46 1 46 25 47 1 47 25 48 1