@MOLECULE DB02573 62 66 1 SMALL USER_CHARGES @ATOM 1 P1 6.3305 0.9721 1.9265 P 1 noname 0.0210 2 O1 6.2911 2.3024 2.5456 O.2 1 noname -0.1950 3 O2 6.6580 1.0783 0.3722 O.3 1 noname -0.1492 4 O3 4.9386 0.2416 2.1001 O.3 1 noname -0.1514 5 O4 7.4347 0.0788 2.6420 O.3 1 noname -0.1634 6 C1 7.8779 1.7687 0.1382 C.3 1 noname 0.1056 7 C2 5.0357 -1.0384 1.4850 C.3 1 noname 0.0913 8 C3 8.1277 1.9543 -1.3423 C.3 1 noname 0.1100 9 C4 9.1707 1.0279 0.5153 C.3 1 noname 0.0179 10 C5 3.7055 -1.7456 1.6790 C.3 1 noname 0.1103 11 O5 9.4540 2.4653 -1.3888 O.3 1 noname -0.3537 12 C6 7.1533 2.9798 -1.9204 C.3 1 noname 0.0721 13 C7 10.1759 1.8034 -0.3402 C.3 1 noname 0.1244 14 O6 2.6679 -0.9690 1.0939 O.3 1 noname -0.3512 15 C8 3.7269 -3.0984 0.9749 C.3 1 noname 0.0867 16 O7 7.4034 3.1398 -3.3091 O.3 1 noname -0.3934 17 N1 10.8677 2.7716 0.4399 N.3 1 noname 0.0190 18 C9 1.6482 -1.9372 0.8783 C.3 1 noname 0.1330 19 O8 3.7720 -4.1431 1.9335 O.3 1 noname -0.3900 20 C10 2.3982 -3.1264 0.2400 C.3 1 noname 0.0195 21 C11 12.2383 2.6539 0.5552 C.2 1 noname -0.0068 22 C12 10.1585 3.8061 1.0539 C.2 1 noname -0.0563 23 N2 0.5528 -1.3396 0.1644 N.3 1 noname 0.0247 24 O9 12.9187 1.6576 -0.0505 O.3 1 noname -0.2485 25 N3 12.8773 3.6076 1.3219 N.2 1 noname -0.1755 26 C13 10.7845 4.7916 1.8571 C.2 1 noname 0.0175 27 C14 -0.1412 -0.2679 0.6044 C.2 1 noname 0.1237 28 C15 0.0286 -1.6885 -1.0370 C.2 1 noname -0.0368 29 C16 12.1907 4.6488 1.9604 C.2 1 noname 0.0498 30 N4 -0.0385 0.4714 1.7500 N.2 1 noname -0.2443 31 C17 -1.0685 0.0270 -0.4002 C.2 1 noname 0.0252 32 N5 -0.9675 -0.8547 -1.3937 N.2 1 noname -0.2174 33 N6 12.8651 5.5114 2.6703 N.2 1 noname -0.2366 34 C18 -0.8597 1.5558 1.9245 C.2 1 noname 0.0503 35 C19 -1.9088 1.1476 -0.2231 C.2 1 noname 0.0729 36 N7 -1.7619 1.8634 0.9358 N.2 1 noname -0.2576 37 N8 -2.8120 1.4963 -1.1494 N.3 1 noname -0.1031 38 H1 7.3403 0.1552 3.5942 H 1 noname 0.2283 39 H2 7.6514 2.6430 0.7484 H 1 noname 0.0643 40 H3 5.1701 -0.8518 0.4195 H 1 noname 0.0605 41 H4 5.7964 -1.5844 2.0429 H 1 noname 0.0605 42 H5 8.0581 1.0355 -1.9246 H 1 noname 0.0656 43 H6 9.3891 1.2142 1.5669 H 1 noname 0.0335 44 H7 9.1112 0.0048 0.1440 H 1 noname 0.0335 45 H8 3.4807 -1.8395 2.7414 H 1 noname 0.0656 46 H9 6.1475 2.5655 -1.8515 H 1 noname 0.0591 47 H10 7.3762 3.9475 -1.4710 H 1 noname 0.0591 48 H11 10.9461 1.1677 -0.7768 H 1 noname 0.0787 49 H12 4.6019 -3.2862 0.3526 H 1 noname 0.0630 50 H13 7.4778 2.2766 -3.7224 H 1 noname 0.2101 51 H14 1.1134 -2.2361 1.7798 H 1 noname 0.0824 52 H15 3.7557 -3.7677 2.8170 H 1 noname 0.2105 53 H16 2.5868 -2.8950 -0.8083 H 1 noname 0.0338 54 H17 1.8817 -4.0474 0.5105 H 1 noname 0.0338 55 H18 9.0800 3.8456 0.9011 H 1 noname 0.0758 56 H19 13.3090 1.0860 0.6148 H 1 noname 0.2209 57 H20 10.2323 5.5902 2.3525 H 1 noname 0.0672 58 H21 0.3653 -2.5322 -1.6396 H 1 noname 0.1016 59 H22 12.7201 5.3259 3.6525 H 1 noname 0.1893 60 H23 -0.7967 2.1601 2.8294 H 1 noname 0.1062 61 H24 -2.8374 2.4437 -1.4985 H 1 noname 0.1258 62 H25 -3.4675 0.8118 -1.4985 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 4 7 1 7 6 8 1 8 6 9 1 9 10 7 1 10 8 11 1 11 8 12 1 12 9 13 1 13 10 14 1 14 10 15 1 15 11 13 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 1 21 17 21 1 22 17 22 1 23 18 23 1 24 18 20 1 25 21 24 1 26 21 25 2 27 22 26 2 28 23 27 1 29 23 28 1 30 25 29 1 31 26 29 1 32 27 30 2 33 27 31 1 34 28 32 2 35 29 33 2 36 30 34 1 37 31 35 2 38 31 32 1 39 34 36 2 40 35 37 1 41 35 36 1 42 5 38 1 43 6 39 1 44 7 40 1 45 7 41 1 46 8 42 1 47 9 43 1 48 9 44 1 49 10 45 1 50 12 46 1 51 12 47 1 52 13 48 1 53 15 49 1 54 16 50 1 55 18 51 1 56 19 52 1 57 20 53 1 58 20 54 1 59 22 55 1 60 24 56 1 61 26 57 1 62 28 58 1 63 33 59 1 64 34 60 1 65 37 61 1 66 37 62 1 @SUBSTRUCTURE 1 noname 1