@MOLECULE DB03925 63 65 1 SMALL USER_CHARGES @ATOM 1 O1 6.0447 -10.2275 0.3893 O.2 1 noname -0.2825 2 C1 7.2401 -9.8624 0.4027 C.2 1 noname 0.0583 3 N1 7.5166 -8.5197 0.4238 N.3 1 noname 0.0557 4 C2 8.2448 -10.8459 0.3956 C.2 1 noname -0.0122 5 C3 8.8546 -8.0485 0.4420 C.2 1 noname -0.0147 6 C4 6.1747 -7.9848 0.4240 C.3 1 noname 0.0865 7 N2 7.9537 -12.1537 0.3728 N.3 1 noname -0.1335 8 C5 9.5728 -10.3813 0.4136 C.2 1 noname 0.0422 9 N3 9.8179 -9.0400 0.4360 N.2 1 noname -0.2232 10 C6 9.4002 -6.6962 0.4687 C.2 1 noname -0.0243 11 C7 5.7079 -6.5452 0.3461 C.2 1 noname 0.0466 12 C8 10.8294 -6.4357 0.4845 C.2 1 noname -0.0324 13 C9 8.5390 -5.5496 0.4804 C.2 1 noname -0.0324 14 O2 6.4672 -5.5626 0.2034 O.2 1 noname -0.2912 15 N4 4.2541 -6.4563 0.4596 N.3 1 noname -0.0709 16 C10 11.3612 -5.1053 0.5094 C.2 1 noname -0.0518 17 C11 9.0136 -4.2066 0.5038 C.2 1 noname -0.0518 18 C12 3.7593 -5.0637 0.4787 C.3 1 noname 0.0502 19 C13 10.4308 -4.0182 0.5181 C.2 1 noname -0.0533 20 C14 2.2104 -5.1190 0.4182 C.3 1 noname 0.1364 21 C15 4.1149 -4.2500 1.7683 C.3 1 noname -0.0282 22 O3 1.5740 -3.8356 0.4756 O.3 1 noname -0.3827 23 C16 1.5307 -5.7802 -0.7062 C.2 1 noname 0.1446 24 C17 3.5128 -4.9442 2.9916 C.3 1 noname -0.0612 25 C18 3.5439 -2.8353 1.6523 C.3 1 noname -0.0612 26 O4 0.9694 -7.0078 -0.6335 O.3 1 noname -0.2868 27 N5 1.1920 -5.1569 -1.8473 N.2 1 noname -0.1090 28 C19 0.1616 -7.0444 -1.7210 C.2 1 noname 0.1514 29 N6 0.3210 -5.9073 -2.4263 N.2 1 noname -0.1262 30 C20 -0.7372 -8.1401 -2.0721 C.3 1 noname 0.1088 31 C21 -1.7533 -8.3467 -0.9471 C.3 1 noname -0.0525 32 C22 0.0742 -9.4223 -2.2684 C.3 1 noname -0.0525 33 C23 -1.4743 -7.7995 -3.3689 C.3 1 noname -0.0525 34 H1 5.7730 -8.4344 -0.4841 H 1 noname 0.0537 35 H2 5.8200 -8.3172 1.3996 H 1 noname 0.0537 36 H3 6.9902 -12.4565 0.3643 H 1 noname 0.1244 37 H4 8.6978 -12.8366 0.3643 H 1 noname 0.1244 38 H5 10.4200 -11.0671 0.4102 H 1 noname 0.0858 39 H6 11.5299 -7.2708 0.4774 H 1 noname 0.0630 40 H7 7.4606 -5.7081 0.4710 H 1 noname 0.0630 41 H8 3.6567 -7.2685 0.5184 H 1 noname 0.1314 42 H9 12.4363 -4.9265 0.5212 H 1 noname 0.0622 43 H10 8.3243 -3.3623 0.5105 H 1 noname 0.0622 44 H11 4.2556 -4.6131 -0.3808 H 1 noname 0.0504 45 H12 10.8195 -3.0000 0.5365 H 1 noname 0.0622 46 H13 2.0051 -5.7167 1.3063 H 1 noname 0.0708 47 H14 5.1952 -4.1841 1.8971 H 1 noname 0.0314 48 H15 1.4480 -3.5816 1.3927 H 1 noname 0.2111 49 H16 3.5757 -6.0249 2.8637 H 1 noname 0.0234 50 H17 4.0654 -4.6512 3.8843 H 1 noname 0.0234 51 H18 2.4684 -4.6512 3.0982 H 1 noname 0.0234 52 H19 3.3792 -2.4271 2.6494 H 1 noname 0.0234 53 H20 4.2482 -2.2024 1.1124 H 1 noname 0.0234 54 H21 2.5976 -2.8685 1.1124 H 1 noname 0.0234 55 H22 -1.9016 -9.4140 -0.7829 H 1 noname 0.0240 56 H23 -1.3806 -7.8866 -0.0319 H 1 noname 0.0240 57 H24 -2.7016 -7.8866 -1.2249 H 1 noname 0.0240 58 H25 0.3373 -9.8382 -1.2958 H 1 noname 0.0240 59 H26 -0.5205 -10.1470 -2.8245 H 1 noname 0.0240 60 H27 0.9837 -9.1952 -2.8245 H 1 noname 0.0240 61 H28 -1.7624 -8.7204 -3.8757 H 1 noname 0.0240 62 H29 -2.3665 -7.2176 -3.1375 H 1 noname 0.0240 63 H30 -0.8190 -7.2176 -4.0171 H 1 noname 0.0240 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 2 9 5 10 1 10 6 11 1 11 8 9 1 12 10 12 2 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 2 18 18 15 1 19 16 19 2 20 17 19 1 21 18 20 1 22 18 21 1 23 20 22 1 24 20 23 1 25 21 24 1 26 21 25 1 27 23 26 1 28 23 27 2 29 26 28 1 30 27 29 1 31 28 30 1 32 28 29 2 33 30 31 1 34 30 32 1 35 30 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 8 38 1 41 12 39 1 42 13 40 1 43 15 41 1 44 16 42 1 45 17 43 1 46 18 44 1 47 19 45 1 48 20 46 1 49 21 47 1 50 22 48 1 51 24 49 1 52 24 50 1 53 24 51 1 54 25 52 1 55 25 53 1 56 25 54 1 57 31 55 1 58 31 56 1 59 31 57 1 60 32 58 1 61 32 59 1 62 32 60 1 63 33 61 1 64 33 62 1 65 33 63 1 @SUBSTRUCTURE 1 noname 1