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CHARGE 0.00 ( 0 )
Formula: H23 C23 N7 O2
ATOM 1 O1 UNK 1 17.770 22.038 33.734 0.000000 oh
ATOM 2 N1 UNK 1 18.795 21.083 33.731 0.000000 n2
ATOM 3 N2 UNK 1 17.004 19.531 34.133 0.000000 n4
ATOM 4 C1 UNK 1 18.407 19.790 33.819 0.000000 ce
ATOM 5 N3 UNK 1 23.159 18.310 35.415 0.000000 nh
ATOM 6 O2 UNK 1 25.414 14.371 33.195 0.000000 o
ATOM 7 C2 UNK 1 21.461 17.420 33.978 0.000000 ca
ATOM 8 C3 UNK 1 21.101 16.473 32.979 0.000000 ca
ATOM 9 C4 UNK 1 22.729 17.315 34.616 0.000000 ca
ATOM 10 C5 UNK 1 21.990 15.441 32.623 0.000000 ca
ATOM 11 C6 UNK 1 23.584 16.253 34.245 0.000000 ca
ATOM 12 C7 UNK 1 23.228 15.301 33.277 0.000000 ca
ATOM 13 C8 UNK 1 19.311 18.600 33.618 0.000000 ca
ATOM 14 C9 UNK 1 18.963 17.637 32.642 0.000000 ca
ATOM 15 C10 UNK 1 20.545 18.475 34.296 0.000000 ca
ATOM 16 C11 UNK 1 19.854 16.584 32.329 0.000000 ca
ATOM 17 C12 UNK 1 24.221 14.204 32.943 0.000000 c
ATOM 18 N4 UNK 1 23.736 13.036 32.489 0.000000 n
ATOM 19 C13 UNK 1 24.464 11.898 32.126 0.000000 ca
ATOM 20 C14 UNK 1 25.784 11.939 31.605 0.000000 ca
ATOM 21 C15 UNK 1 23.825 10.638 32.219 0.000000 ca
ATOM 22 C16 UNK 1 26.461 10.756 31.232 0.000000 ca
ATOM 23 C17 UNK 1 24.493 9.454 31.844 0.000000 ca
ATOM 24 C18 UNK 1 25.813 9.504 31.350 0.000000 ca
ATOM 25 N5 UNK 1 27.299 8.364 29.727 0.000000 n4
ATOM 26 C19 UNK 1 26.537 8.218 30.963 0.000000 c3
ATOM 27 N6 UNK 1 24.143 19.617 36.919 0.000000 nb
ATOM 28 C20 UNK 1 24.102 18.406 36.369 0.000000 ca
ATOM 29 C21 UNK 1 25.022 19.853 37.919 0.000000 ca
ATOM 30 N7 UNK 1 24.880 17.379 36.737 0.000000 nb
ATOM 31 C22 UNK 1 25.899 18.852 38.369 0.000000 ca
ATOM 32 C23 UNK 1 25.778 17.605 37.724 0.000000 ca
ATOM 33 H1 UNK 1 17.315 22.092 34.606 0.000000 ho
ATOM 34 H2 UNK 1 16.628 18.751 33.600 0.000000 hn
ATOM 35 H3 UNK 1 16.969 19.287 35.128 0.000000 hn
ATOM 36 H4 UNK 1 22.613 19.155 35.355 0.000000 hn
ATOM 37 H5 UNK 1 21.733 14.788 31.806 0.000000 ha
ATOM 38 H6 UNK 1 24.566 16.170 34.673 0.000000 ha
ATOM 39 H7 UNK 1 18.041 17.709 32.101 0.000000 ha
ATOM 40 H8 UNK 1 20.773 19.186 35.058 0.000000 ha
ATOM 41 H9 UNK 1 19.568 15.880 31.552 0.000000 ha
ATOM 42 H10 UNK 1 22.734 12.944 32.527 0.000000 hn
ATOM 43 H11 UNK 1 26.301 12.882 31.479 0.000000 ha
ATOM 44 H12 UNK 1 22.814 10.572 32.605 0.000000 ha
ATOM 45 H13 UNK 1 27.469 10.831 30.857 0.000000 ha
ATOM 46 H14 UNK 1 23.987 8.503 31.943 0.000000 ha
ATOM 47 H15 UNK 1 27.696 7.479 29.447 0.000000 hn
ATOM 48 H16 UNK 1 26.709 8.709 28.977 0.000000 hn
ATOM 49 H17 UNK 1 27.178 7.894 31.784 0.000000 hx
ATOM 50 H18 UNK 1 25.809 7.420 30.807 0.000000 hx
ATOM 51 H19 UNK 1 25.035 20.847 38.352 0.000000 h4
ATOM 52 H20 UNK 1 26.624 19.030 39.154 0.000000 ha
ATOM 53 H21 UNK 1 26.434 16.790 38.000 0.000000 h4
ATOM 54 HN2 UNK 1 16.432 20.363 34.030 0.000000 hn
ATOM 55 HN5 UNK 1 28.065 9.012 29.864 0.000000 hn
BOND 1 1 2 1 O1 N1
BOND 2 1 33 1 O1 H1
BOND 3 2 4 2 N1 C1
BOND 4 3 4 1 N2 C1
BOND 5 3 34 1 N2 H2
BOND 6 3 35 1 N2 H3
BOND 7 3 54 1 N2 HN2
BOND 8 4 13 1 C1 C8
BOND 9 5 9 1 N3 C4
BOND 10 5 28 1 N3 C20
BOND 11 5 36 1 N3 H4
BOND 12 6 17 2 O2 C12
BOND 13 7 8 7 C2 C3
BOND 14 7 9 7 C2 C4
BOND 15 7 15 8 C2 C10
BOND 16 8 10 7 C3 C5
BOND 17 8 16 8 C3 C11
BOND 18 9 11 8 C4 C6
BOND 19 10 12 8 C5 C7
BOND 20 10 37 1 C5 H5
BOND 21 11 12 7 C6 C7
BOND 22 11 38 1 C6 H6
BOND 23 12 17 1 C7 C12
BOND 24 13 14 8 C8 C9
BOND 25 13 15 7 C8 C10
BOND 26 14 16 7 C9 C11
BOND 27 14 39 1 C9 H7
BOND 28 15 40 1 C10 H8
BOND 29 16 41 1 C11 H9
BOND 30 17 18 1 C12 N4
BOND 31 18 19 1 N4 C13
BOND 32 18 42 1 N4 H10
BOND 33 19 20 7 C13 C14
BOND 34 19 21 8 C13 C15
BOND 35 20 22 8 C14 C16
BOND 36 20 43 1 C14 H11
BOND 37 21 23 7 C15 C17
BOND 38 21 44 1 C15 H12
BOND 39 22 24 7 C16 C18
BOND 40 22 45 1 C16 H13
BOND 41 23 24 8 C17 C18
BOND 42 23 46 1 C17 H14
BOND 43 24 26 1 C18 C19
BOND 44 25 26 1 N5 C19
BOND 45 25 47 1 N5 H15
BOND 46 25 48 1 N5 H16
BOND 47 25 55 1 N5 HN5
BOND 48 26 49 1 C19 H17
BOND 49 26 50 1 C19 H18
BOND 50 27 28 7 N6 C20
BOND 51 27 29 8 N6 C21
BOND 52 28 30 8 C20 N7
BOND 53 29 31 7 C21 C22
BOND 54 29 51 1 C21 H19
BOND 55 30 32 7 N7 C23
BOND 56 31 32 8 C22 C23
BOND 57 31 52 1 C22 H20
BOND 58 32 53 1 C23 H21
|
