@MOLECULE DB03433 44 44 1 SMALL USER_CHARGES @ATOM 1 P1 -3.4764 -2.7626 -6.6955 P 1 noname 0.0154 2 O1 -4.1999 -2.9701 -7.9231 O.2 1 noname -0.1965 3 O2 -4.1387 -1.6258 -5.8952 O.3 1 noname -0.1515 4 O3 -3.4978 -4.0573 -5.8619 O.3 1 noname -0.1644 5 O4 -2.0189 -2.3828 -7.0166 O.3 1 noname -0.1644 6 C1 -3.4252 -1.4212 -4.6846 C.3 1 noname 0.0830 7 C2 -1.9772 -1.0438 -5.0036 C.3 1 noname 0.0227 8 C3 -4.0833 -0.2917 -3.8895 C.3 1 noname -0.0364 9 N1 -1.2426 -0.8331 -3.7572 N.3 1 noname -0.3099 10 C4 0.1410 -0.4726 -4.0620 C.3 1 noname 0.0237 11 C5 0.8746 -0.2622 -2.8173 C.2 1 noname 0.0076 12 C6 0.9839 -1.3440 -1.8804 C.2 1 noname 0.0324 13 C7 1.4664 1.0207 -2.5646 C.2 1 noname -0.0044 14 O5 0.4204 -2.5439 -2.1356 O.3 1 noname -0.2763 15 C8 1.7090 -1.1126 -0.6660 C.2 1 noname 0.0275 16 C9 2.1814 1.2023 -1.3357 C.2 1 noname -0.0060 17 C10 1.3439 2.1085 -3.5306 C.3 1 noname 0.0894 18 N2 2.2699 0.1380 -0.4499 N.2 1 noname -0.2528 19 C11 1.8548 -2.1738 0.3261 C.3 1 noname 0.0427 20 O6 0.6825 3.2086 -2.9234 O.3 1 noname -0.1511 21 P2 0.5532 4.3560 -3.9424 P 1 noname 0.0155 22 O7 -0.1174 5.4716 -3.3265 O.2 1 noname -0.1965 23 O8 -0.2614 3.8742 -5.1572 O.3 1 noname -0.1644 24 O9 1.9559 4.7920 -4.4051 O.3 1 noname -0.1644 25 H1 -3.4941 -3.8365 -4.9277 H 1 noname 0.2283 26 H2 -1.5334 -2.2563 -6.1981 H 1 noname 0.2283 27 H3 -3.4810 -2.3693 -4.1498 H 1 noname 0.0624 28 H4 -1.5116 -1.9040 -5.4847 H 1 noname 0.0455 29 H5 -1.9928 -0.0786 -5.5097 H 1 noname 0.0455 30 H6 -3.9707 -0.4849 -2.8227 H 1 noname 0.0257 31 H7 -3.6050 0.6553 -4.1397 H 1 noname 0.0257 32 H8 -5.1429 -0.2408 -4.1397 H 1 noname 0.0257 33 H9 -1.6310 -0.9228 -2.8292 H 1 noname 0.1226 34 H10 0.5916 -1.3368 -4.5501 H 1 noname 0.0479 35 H11 0.1105 0.4886 -4.5750 H 1 noname 0.0479 36 H12 0.2141 -2.9832 -1.3073 H 1 noname 0.2182 37 H13 2.6568 2.1479 -1.0753 H 1 noname 0.0843 38 H14 2.3527 2.4489 -3.7639 H 1 noname 0.0629 39 H15 0.6881 1.7599 -4.3285 H 1 noname 0.0629 40 H16 1.7960 -1.7461 1.3269 H 1 noname 0.0296 41 H17 1.0569 -2.9049 0.1960 H 1 noname 0.0296 42 H18 2.8203 -2.6626 0.1960 H 1 noname 0.0296 43 H19 -0.2730 2.9145 -5.1745 H 1 noname 0.2283 44 H20 2.5070 4.9633 -3.6380 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 2 12 11 13 1 13 12 14 1 14 12 15 1 15 13 16 2 16 13 17 1 17 15 18 2 18 15 19 1 19 16 18 1 20 17 20 1 21 20 21 1 22 21 22 2 23 21 23 1 24 21 24 1 25 4 25 1 26 5 26 1 27 6 27 1 28 7 28 1 29 7 29 1 30 8 30 1 31 8 31 1 32 8 32 1 33 9 33 1 34 10 34 1 35 10 35 1 36 14 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 19 40 1 41 19 41 1 42 19 42 1 43 23 43 1 44 24 44 1 @SUBSTRUCTURE 1 noname 1