@MOLECULE DB04136 76 75 1 SMALL USER_CHARGES @ATOM 1 P1 2.0955 -7.1524 -3.8192 P 1 noname 0.0199 2 O1 1.4725 -8.4482 -3.7381 O.2 1 noname -0.1952 3 O2 3.6266 -7.3178 -3.8133 O.3 1 noname -0.1520 4 O3 1.6596 -6.4538 -5.1205 O.3 1 noname -0.1516 5 O4 1.6666 -6.3000 -2.6104 O.3 1 noname -0.1636 6 C1 4.0286 -7.9619 -2.6134 C.3 1 noname 0.0872 7 C2 2.2740 -5.1761 -5.2005 C.3 1 noname 0.0907 8 C3 5.5497 -8.1262 -2.6076 C.3 1 noname 0.1159 9 C4 1.8409 -4.4820 -6.4934 C.3 1 noname 0.1018 10 N1 5.9636 -8.7894 -1.3721 N.3 1 noname -0.3175 11 C5 6.1814 -6.8125 -2.6898 C.2 1 noname 0.1449 12 O5 2.2364 -5.2680 -7.6080 O.3 1 noname -0.3882 13 C6 2.5028 -3.1053 -6.5796 C.3 1 noname 0.0781 14 O6 6.9372 -6.5413 -3.6478 O.2 1 noname -0.2488 15 O7 5.9492 -5.8907 -1.7313 O.3 1 noname -0.2134 16 O8 2.1009 -2.4612 -7.7796 O.3 1 noname -0.3500 17 C7 2.7152 -1.1834 -7.8596 C.3 1 noname 0.1544 18 O9 4.1270 -1.3359 -7.8542 O.3 1 noname -0.3679 19 C8 2.2822 -0.4894 -9.1525 C.3 1 noname -0.0019 20 C9 2.9441 0.8873 -9.2387 C.3 1 noname -0.0485 21 C10 2.5110 1.5814 -10.5316 C.3 1 noname -0.0531 22 C11 3.1730 2.9581 -10.6178 C.3 1 noname -0.0533 23 C12 2.7399 3.6522 -11.9107 C.3 1 noname -0.0533 24 C13 3.4018 5.0289 -11.9969 C.3 1 noname -0.0533 25 C14 2.9687 5.7230 -13.2898 C.3 1 noname -0.0533 26 C15 3.6307 7.0997 -13.3760 C.3 1 noname -0.0533 27 C16 3.1976 7.7938 -14.6689 C.3 1 noname -0.0533 28 C17 3.8595 9.1704 -14.7550 C.3 1 noname -0.0533 29 C18 3.4265 9.8645 -16.0479 C.3 1 noname -0.0533 30 C19 4.0884 11.2412 -16.1341 C.3 1 noname -0.0535 31 C20 3.6553 11.9353 -17.4270 C.3 1 noname -0.0561 32 C21 4.3173 13.3120 -17.5132 C.3 1 noname -0.0654 33 H1 1.4100 -6.8767 -1.8871 H 1 noname 0.2283 34 H2 3.7600 -7.2752 -1.8107 H 1 noname 0.0599 35 H3 3.5818 -8.9554 -2.6530 H 1 noname 0.0599 36 H4 1.8730 -4.6076 -4.3614 H 1 noname 0.0605 37 H5 3.3444 -5.3716 -5.2645 H 1 noname 0.0605 38 H6 5.8987 -8.7240 -3.4495 H 1 noname 0.0596 39 H7 0.7556 -4.4068 -6.5605 H 1 noname 0.0649 40 H8 6.9359 -9.0185 -1.2232 H 1 noname 0.1192 41 H9 5.2771 -9.0185 -0.6676 H 1 noname 0.1192 42 H10 2.1580 -6.1989 -7.3870 H 1 noname 0.2106 43 H11 2.1071 -2.4892 -5.7722 H 1 noname 0.0595 44 H12 3.5785 -3.2533 -6.6753 H 1 noname 0.0595 45 H13 5.7487 -6.3334 -0.9034 H 1 noname 0.2213 46 H14 2.4433 -0.6340 -6.9583 H 1 noname 0.0919 47 H15 4.4418 -1.3699 -6.9479 H 1 noname 0.2133 48 H16 2.6801 -1.0820 -9.9762 H 1 noname 0.0318 49 H17 1.2086 -0.3179 -9.0732 H 1 noname 0.0318 50 H18 2.5462 1.4799 -8.4149 H 1 noname 0.0268 51 H19 4.0176 0.7159 -9.3179 H 1 noname 0.0268 52 H20 2.9089 0.9888 -11.3553 H 1 noname 0.0266 53 H21 1.4375 1.7529 -10.4523 H 1 noname 0.0266 54 H22 2.7751 3.5507 -9.7940 H 1 noname 0.0266 55 H23 4.2465 2.7867 -10.6970 H 1 noname 0.0266 56 H24 3.1378 3.0596 -12.7344 H 1 noname 0.0266 57 H25 1.6664 3.8236 -11.8314 H 1 noname 0.0266 58 H26 3.0039 5.6215 -11.1731 H 1 noname 0.0266 59 H27 4.4753 4.8575 -12.0761 H 1 noname 0.0266 60 H28 3.3666 5.1304 -14.1135 H 1 noname 0.0266 61 H29 1.8952 5.8944 -13.2105 H 1 noname 0.0266 62 H30 3.2328 7.6923 -12.5522 H 1 noname 0.0266 63 H31 4.7042 6.9282 -13.4552 H 1 noname 0.0266 64 H32 3.5955 7.2012 -15.4926 H 1 noname 0.0266 65 H33 2.1241 7.9652 -14.5896 H 1 noname 0.0266 66 H34 3.4616 9.7630 -13.9313 H 1 noname 0.0266 67 H35 4.9330 8.9990 -14.8343 H 1 noname 0.0266 68 H36 3.8244 9.2719 -16.8717 H 1 noname 0.0266 69 H37 2.3529 10.0360 -15.9687 H 1 noname 0.0266 70 H38 3.6905 11.8338 -15.3104 H 1 noname 0.0266 71 H39 5.1619 11.0698 -16.2134 H 1 noname 0.0266 72 H40 4.0532 11.3427 -18.2508 H 1 noname 0.0264 73 H41 2.5818 12.1067 -17.3478 H 1 noname 0.0264 74 H42 4.4995 13.6911 -16.5077 H 1 noname 0.0230 75 H43 5.2640 13.2272 -18.0467 H 1 noname 0.0230 76 H44 3.6598 13.9985 -18.0467 H 1 noname 0.0230 @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 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 2 14 11 15 1 15 13 16 1 16 16 17 1 17 17 18 1 18 17 19 1 19 19 20 1 20 20 21 1 21 21 22 1 22 22 23 1 23 23 24 1 24 24 25 1 25 25 26 1 26 26 27 1 27 27 28 1 28 28 29 1 29 29 30 1 30 30 31 1 31 31 32 1 32 5 33 1 33 6 34 1 34 6 35 1 35 7 36 1 36 7 37 1 37 8 38 1 38 9 39 1 39 10 40 1 40 10 41 1 41 12 42 1 42 13 43 1 43 13 44 1 44 15 45 1 45 17 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 20 50 1 50 20 51 1 51 21 52 1 52 21 53 1 53 22 54 1 54 22 55 1 55 23 56 1 56 23 57 1 57 24 58 1 58 24 59 1 59 25 60 1 60 25 61 1 61 26 62 1 62 26 63 1 63 27 64 1 64 27 65 1 65 28 66 1 66 28 67 1 67 29 68 1 68 29 69 1 69 30 70 1 70 30 71 1 71 31 72 1 72 31 73 1 73 32 74 1 74 32 75 1 75 32 76 1 @SUBSTRUCTURE 1 noname 1