@MOLECULE DB04290 57 58 1 SMALL USER_CHARGES @ATOM 1 P1 -2.5890 -5.2506 3.3551 P 1 noname 0.0386 2 O1 -3.7729 -4.4406 3.7052 O.2 1 noname -0.1917 3 O2 -2.8790 -6.4851 2.3812 O.3 1 noname -0.1015 4 O3 -2.0313 -5.8481 4.7168 O.3 1 noname -0.1495 5 O4 -1.4301 -4.3260 2.8045 O.3 1 noname -0.1615 6 P2 -3.7049 -6.2612 1.0278 P 1 noname -0.0959 7 C1 -0.8556 -6.5872 4.4134 C.3 1 noname 0.0914 8 O5 -4.2419 -7.5776 0.6604 O.2 1 noname -0.3580 9 O6 -2.8578 -5.7557 -0.2314 O.3 1 noname -0.2438 10 O7 -4.9591 -5.3225 1.3064 O.3 1 noname -0.3580 11 C2 -0.1423 -6.9361 5.7088 C.3 1 noname 0.1127 12 C3 -1.7657 -4.8687 0.0081 C.3 1 noname 0.0978 13 O8 -1.0741 -7.6438 6.4970 O.3 1 noname -0.3508 14 C4 1.0562 -7.8495 5.4452 C.3 1 noname 0.1124 15 C5 -1.0972 -4.5123 -1.3212 C.3 1 noname 0.0135 16 C6 -0.2179 -8.2705 7.4284 C.3 1 noname 0.1514 17 O9 2.2579 -7.0841 5.4130 O.3 1 noname -0.3873 18 C7 0.9545 -8.8466 6.6080 C.3 1 noname 0.1230 19 N1 0.0216 -3.6037 -1.0759 N.4 1 noname 0.0079 20 N2 -1.0123 -9.0785 8.3100 N.3 1 noname 0.0554 21 O10 2.1153 -8.9244 7.4238 O.3 1 noname -0.3860 22 C8 0.6603 -3.2630 -2.3461 C.3 1 noname -0.0214 23 C9 0.9947 -4.2543 -0.2001 C.3 1 noname -0.0214 24 C10 -0.4716 -2.3850 -0.4361 C.3 1 noname -0.0214 25 C11 -1.4847 -8.4844 9.4737 C.2 1 noname 0.1025 26 C12 -1.3395 -10.3787 7.9924 C.2 1 noname -0.0516 27 O11 -1.2784 -7.3024 9.8128 O.2 1 noname -0.2487 28 N3 -2.2464 -9.2310 10.3257 N.2 1 noname -0.1587 29 C13 -2.1237 -11.1662 8.8614 C.2 1 noname -0.0083 30 C14 -2.5535 -10.5279 10.0455 C.2 1 noname -0.0358 31 N4 -3.2949 -11.2154 10.9202 N.3 1 noname -0.1313 32 H1 -0.9493 -3.9424 3.5416 H 1 noname 0.2283 33 H2 -1.1997 -7.5156 3.9577 H 1 noname 0.0605 34 H3 -0.2166 -5.9075 3.8496 H 1 noname 0.0605 35 H4 0.1713 -6.0433 6.2497 H 1 noname 0.0657 36 H5 -2.2104 -3.9605 0.4149 H 1 noname 0.0633 37 H6 -1.0508 -5.4387 0.6016 H 1 noname 0.0633 38 H7 1.1251 -8.3273 4.4679 H 1 noname 0.0657 39 H8 -0.6595 -5.4254 -1.7244 H 1 noname 0.0964 40 H9 -1.8190 -3.9473 -1.9111 H 1 noname 0.0964 41 H10 0.1995 -7.6095 8.1880 H 1 noname 0.0816 42 H11 2.5450 -6.9012 6.3107 H 1 noname 0.2106 43 H12 0.8920 -9.8840 6.2795 H 1 noname 0.0671 44 H13 1.8582 -8.9072 8.3486 H 1 noname 0.2107 45 H14 0.9266 -4.1777 -2.8757 H 1 noname 0.0902 46 H15 -0.0298 -2.6787 -2.9546 H 1 noname 0.0902 47 H16 1.5604 -2.6787 -2.1550 H 1 noname 0.0902 48 H17 0.7248 -4.0738 0.8405 H 1 noname 0.0902 49 H18 0.9978 -5.3269 -0.3938 H 1 noname 0.0902 50 H19 1.9871 -3.8472 -0.3938 H 1 noname 0.0902 51 H20 -0.4254 -2.4990 0.6469 H 1 noname 0.0902 52 H21 0.1465 -1.5399 -0.7392 H 1 noname 0.0902 53 H22 -1.5035 -2.2076 -0.7392 H 1 noname 0.0902 54 H23 -0.9762 -10.7864 7.0491 H 1 noname 0.0759 55 H24 -2.3807 -12.2005 8.6328 H 1 noname 0.0666 56 H25 -4.1697 -10.8337 11.2506 H 1 noname 0.1257 57 H26 -2.9801 -12.1164 11.2506 H 1 noname 0.1257 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 9 12 1 12 11 13 1 13 11 14 1 14 12 15 1 15 13 16 1 16 14 17 1 17 14 18 1 18 15 19 1 19 16 20 1 20 16 18 1 21 18 21 1 22 19 22 1 23 19 23 1 24 19 24 1 25 20 25 1 26 20 26 1 27 25 27 2 28 25 28 1 29 26 29 2 30 28 30 2 31 29 30 1 32 30 31 1 33 5 32 1 34 7 33 1 35 7 34 1 36 11 35 1 37 12 36 1 38 12 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 16 41 1 43 17 42 1 44 18 43 1 45 21 44 1 46 22 45 1 47 22 46 1 48 22 47 1 49 23 48 1 50 23 49 1 51 23 50 1 52 24 51 1 53 24 52 1 54 24 53 1 55 26 54 1 56 29 55 1 57 31 56 1 58 31 57 1 @SUBSTRUCTURE 1 noname 1