@MOLECULE 76957365 37 37 1 SMALL USER_CHARGES @ATOM 1 P1 -0.8508 0.4592 -4.1538 P 1 noname 0.0221 2 P2 0.0077 -0.9053 -1.9949 P 1 noname 0.0221 3 O1 -2.0008 1.3054 -4.7310 O.3 1 noname -0.1911 4 O2 0.4440 1.2929 -4.1418 O.3 1 noname -0.1911 5 O3 1.0209 0.0170 -1.2917 O.3 1 noname -0.1911 6 O4 0.7101 -1.6637 -3.1365 O.3 1 noname -0.1911 7 O5 -0.5211 -1.8499 -1.0453 O.2 1 noname -0.2261 8 O6 -0.6602 -0.7118 -4.9698 O.2 1 noname -0.2261 9 C1 -2.8572 -1.2516 -1.1968 C.3 1 noname -0.0395 10 C2 -3.0619 0.0053 -0.3210 C.3 1 noname -0.0504 11 C3 -4.0989 -2.1656 -1.2191 C.3 1 noname -0.0504 12 C4 -2.5108 -0.8270 -2.6252 C.3 1 noname -0.0210 13 C5 -4.3670 -2.9690 0.0879 C.3 1 noname -0.0530 14 C6 -2.8740 -0.2853 1.1921 C.3 1 noname -0.0530 15 C7 -4.9062 -2.0947 1.2490 C.3 1 noname -0.0533 16 C8 -3.9365 -1.1187 1.9611 C.3 1 noname -0.0533 17 C9 -1.2244 0.0013 -2.6133 C.3 1 noname 0.1723 18 H1 -2.0382 -1.7923 -0.7224 H 1 noname 0.0303 19 H2 -4.0598 0.4089 -0.4922 H 1 noname 0.0269 20 H3 -2.2828 0.7135 -0.6029 H 1 noname 0.0269 21 H4 -4.9802 -1.5753 -1.4700 H 1 noname 0.0269 22 H5 -3.8985 -2.9133 -1.9866 H 1 noname 0.0269 23 H6 -3.3248 -0.2281 -3.0338 H 1 noname 0.0289 24 H7 -2.3665 -1.7134 -3.2429 H 1 noname 0.0289 25 H8 -2.6926 0.6498 1.7219 H 1 noname 0.0266 26 H9 -1.9388 -0.8433 1.2398 H 1 noname 0.0266 27 H10 -5.0723 -3.7739 -0.1186 H 1 noname 0.0266 28 H11 -3.4155 -3.4160 0.3760 H 1 noname 0.0266 29 H12 -5.7889 -1.5501 0.9140 H 1 noname 0.0266 30 H13 -4.5021 -0.4636 2.6237 H 1 noname 0.0266 31 H14 -3.3046 -1.7424 2.5934 H 1 noname 0.0266 32 H15 -5.2427 -2.7689 2.0366 H 1 noname 0.0266 33 H16 -1.3687 0.8877 -1.9956 H 1 noname 0.0609 34 H17 -2.5130 1.6823 -4.0118 H 1 noname 0.2259 35 H18 0.7071 1.4623 -3.2342 H 1 noname 0.2259 36 H19 0.9258 -0.0695 -0.3404 H 1 noname 0.2259 37 H20 0.6225 -2.6090 -2.9941 H 1 noname 0.2259 @BOND 1 1 3 1 2 1 4 1 3 1 8 2 4 1 17 1 5 2 5 1 6 2 6 1 7 2 7 2 8 2 17 1 9 9 10 1 10 9 11 1 11 9 12 1 12 9 18 1 13 10 14 1 14 10 19 1 15 10 20 1 16 11 13 1 17 11 21 1 18 11 22 1 19 12 17 1 20 12 23 1 21 12 24 1 22 13 15 1 23 13 27 1 24 13 28 1 25 14 16 1 26 14 25 1 27 14 26 1 28 15 16 1 29 15 29 1 30 15 32 1 31 16 30 1 32 16 31 1 33 17 33 1 34 3 34 1 35 4 35 1 36 5 36 1 37 6 37 1 @SUBSTRUCTURE 1 noname 1