@MOLECULE DB02927 41 40 1 SMALL USER_CHARGES @ATOM 1 P1 3.9027 -1.3369 2.4126 P 1 noname 0.0476 2 O1 4.7602 -2.4515 2.1025 O.2 1 noname -0.1899 3 O2 2.4329 -1.7954 2.3801 O.3 1 noname -0.0613 4 O3 4.1154 -0.2208 1.3730 O.3 1 noname -0.1603 5 O4 4.2428 -0.8025 3.8163 O.3 1 noname -0.1603 6 C1 1.4448 -0.9135 2.6416 C.2 1 noname 0.0979 7 O5 1.6518 0.0455 3.4162 O.2 1 noname -0.2419 8 N1 0.2421 -1.0661 2.0707 N.3 1 noname -0.0259 9 C2 -0.7899 -0.1450 2.3438 C.3 1 noname 0.0312 10 C3 -1.2363 0.5218 1.0411 C.3 1 noname 0.0172 11 C4 -1.9755 -0.8793 2.9732 C.3 1 noname -0.0357 12 N2 -0.1034 1.2235 0.4397 N.3 1 noname -0.3265 13 C5 -1.7484 -0.5451 0.0714 C.3 1 noname -0.0484 14 C6 -3.0954 0.1202 3.2695 C.3 1 noname -0.0517 15 C7 -4.2810 -0.6141 3.8989 C.3 1 noname -0.0527 16 C8 -5.4008 0.3854 4.1952 C.3 1 noname -0.0439 17 C9 -6.5864 -0.3489 4.8246 C.3 1 noname 0.0335 18 C10 -7.6550 0.6049 5.1074 C.2 1 noname 0.1348 19 O6 -8.7221 0.2121 5.6266 O.2 1 noname -0.2559 20 O7 -7.4907 1.9110 4.8081 O.3 1 noname -0.2189 21 H1 4.2740 0.6113 1.8247 H 1 noname 0.2283 22 H2 4.3874 -1.5404 4.4132 H 1 noname 0.2283 23 H3 0.1169 -1.8540 1.4514 H 1 noname 0.1338 24 H4 -0.3523 0.5761 3.0342 H 1 noname 0.0486 25 H5 -2.0073 1.2675 1.2350 H 1 noname 0.0475 26 H6 -2.3579 -1.5653 2.2174 H 1 noname 0.0283 27 H7 -1.6337 -1.2630 3.9344 H 1 noname 0.0283 28 H8 0.7485 0.7222 0.2320 H 1 noname 0.1187 29 H9 -0.1726 2.2095 0.2320 H 1 noname 0.1187 30 H10 -2.1518 -1.3856 0.6361 H 1 noname 0.0247 31 H11 -2.5314 -0.1198 -0.5563 H 1 noname 0.0247 32 H12 -0.9267 -0.8900 -0.5563 H 1 noname 0.0247 33 H13 -2.7130 0.8062 4.0253 H 1 noname 0.0267 34 H14 -3.4372 0.5039 2.3083 H 1 noname 0.0267 35 H15 -4.6634 -1.3001 3.1431 H 1 noname 0.0267 36 H16 -3.9391 -0.9978 4.8602 H 1 noname 0.0267 37 H17 -5.0184 1.0714 4.9511 H 1 noname 0.0272 38 H18 -5.7427 0.7691 3.2340 H 1 noname 0.0272 39 H19 -6.9854 -1.0327 4.0754 H 1 noname 0.0372 40 H20 -6.2612 -0.7303 5.7925 H 1 noname 0.0372 41 H21 -7.4267 2.4197 5.6198 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 9 8 1 9 9 10 1 10 9 11 1 11 10 12 1 12 10 13 1 13 11 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 2 19 18 20 1 20 4 21 1 21 5 22 1 22 8 23 1 23 9 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 15 35 1 35 15 36 1 36 16 37 1 37 16 38 1 38 17 39 1 39 17 40 1 40 20 41 1 @SUBSTRUCTURE 1 noname 1