@MOLECULE FDBD01443 67 66 0 0 0 SMALL USER_CHARGES @ATOM 1 N 1.1625 -1.2931 0.0963 N.4 1 UNK 1.0000 2 C 2.2307 -2.2312 -0.2990 C.3 1 UNK 0.0000 3 C1 -0.1721 -1.8147 -0.2402 C.3 1 UNK 0.0000 4 C2 1.3179 -0.0037 -0.5926 C.3 1 UNK 0.0000 5 C3 3.5940 -1.7859 0.2789 C.3 1 UNK 0.0000 6 C4 1.9056 -3.6461 0.2253 C.3 1 UNK 0.0000 7 C5 -1.2508 -1.0379 0.5390 C.3 1 UNK 0.0000 8 C6 1.2886 1.1269 0.4502 C.3 1 UNK 0.0000 9 C7 4.6981 -2.7882 -0.1102 C.3 1 UNK 0.0000 10 O 3.9647 -0.4928 -0.2079 O.3 1 UNK 0.0000 11 O1 2.4604 -4.6272 -0.6546 O.3 1 UNK 0.0000 12 N1 -2.5764 -1.3446 -0.0173 N.4 1 UNK 1.0000 13 N2 0.9600 2.3915 -0.2235 N.4 1 UNK 1.0000 14 O2 5.9115 -2.4543 0.5686 O.3 1 UNK 0.0000 15 C8 -3.5431 -0.3239 0.4133 C.3 1 UNK 0.0000 16 C9 -3.0139 -2.6679 0.4513 C.3 1 UNK 0.0000 17 C10 -0.4298 2.7622 0.0804 C.3 1 UNK 0.0000 18 C11 1.8664 3.4502 0.2440 C.3 1 UNK 0.0000 19 C12 -3.5695 0.8296 -0.6065 C.3 1 UNK 0.0000 20 C13 -4.0811 -3.1962 -0.4624 C.2 1 UNK 0.0000 21 C14 -1.3984 1.8547 -0.7027 C.3 1 UNK 0.0000 22 C15 3.2286 3.2494 -0.3551 C.2 1 UNK 0.0000 23 N3 -2.7436 1.9428 -0.1162 N.4 1 UNK 1.0000 24 O3 -5.2837 -2.9956 -0.1449 O.co2 1 UNK -0.5000 25 O4 -3.7185 -3.8136 -1.4989 O.co2 1 UNK -0.5000 26 O5 4.0548 2.5398 0.2786 O.co2 1 UNK -0.5000 27 O6 3.4752 3.8012 -1.4603 O.co2 1 UNK -0.5000 28 C16 -3.3670 3.2204 -0.4925 C.3 1 UNK 0.0000 29 C17 -4.4896 3.5294 0.4547 C.2 1 UNK 0.0000 30 O7 -5.6547 3.1829 0.1236 O.co2 1 UNK -0.5000 31 O8 -4.2082 4.1200 1.5313 O.co2 1 UNK -0.5000 32 Gd -0.9084 0.7761 2.9611 Gd 1 UNK 0.0000 33 H 1.2432 -1.1748 1.1062 H 1 UNK 0.0000 34 H1 2.2882 -2.2389 -1.3674 H 1 UNK 0.0000 35 H2 -0.2238 -2.8513 0.0201 H 1 UNK 0.0000 36 H3 -0.3421 -1.6963 -1.2900 H 1 UNK 0.0000 37 H4 0.5169 0.1298 -1.2893 H 1 UNK 0.0000 38 H5 2.2485 0.0148 -1.1204 H 1 UNK 0.0000 39 H6 3.4906 -1.7480 1.3432 H 1 UNK 0.0000 40 H7 0.8441 -3.7719 0.2738 H 1 UNK 0.0000 41 H8 2.3276 -3.7672 1.2011 H 1 UNK 0.0000 42 H9 -1.0637 0.0123 0.4556 H 1 UNK 0.0000 43 H10 -1.2220 -1.3256 1.5692 H 1 UNK 0.0000 44 H11 2.2475 1.2083 0.9180 H 1 UNK 0.0000 45 H12 0.5513 0.9122 1.1953 H 1 UNK 0.0000 46 H13 4.8590 -2.7479 -1.1673 H 1 UNK 0.0000 47 H14 4.3954 -3.7757 0.1692 H 1 UNK 0.0000 48 H15 4.0589 -0.5253 -1.1728 H 1 UNK 0.0000 49 H16 2.0795 -4.5196 -1.5402 H 1 UNK 0.0000 50 H17 -2.5216 -1.3476 -1.0358 H 1 UNK 0.0000 51 H18 1.0679 2.2766 -1.2312 H 1 UNK 0.0000 52 H19 6.1873 -1.5592 0.3164 H 1 UNK 0.0000 53 H20 -3.2565 0.0554 1.3719 H 1 UNK 0.0000 54 H21 -4.5169 -0.7628 0.4768 H 1 UNK 0.0000 55 H22 -3.4043 -2.5833 1.4439 H 1 UNK 0.0000 56 H23 -2.1806 -3.3391 0.4510 H 1 UNK 0.0000 57 H24 -0.5943 3.7817 -0.1996 H 1 UNK 0.0000 58 H25 -0.6050 2.6421 1.1291 H 1 UNK 0.0000 59 H26 1.9377 3.4122 1.3109 H 1 UNK 0.0000 60 H27 1.4836 4.4032 -0.0562 H 1 UNK 0.0000 61 H28 -4.5770 1.1651 -0.7381 H 1 UNK 0.0000 62 H29 -3.1808 0.4849 -1.5419 H 1 UNK 0.0000 63 H30 -1.0549 0.8425 -0.6544 H 1 UNK 0.0000 64 H31 -1.4354 2.1733 -1.7235 H 1 UNK 0.0000 65 H32 -2.6710 1.8896 0.8998 H 1 UNK 0.0000 66 H33 -3.7506 3.1499 -1.4889 H 1 UNK 0.0000 67 H34 -2.6363 4.0006 -0.4451 H 1 UNK 0.0000 @BOND 1 1 3 1 2 1 4 1 3 1 2 1 4 2 5 1 5 2 6 1 6 3 7 1 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 7 12 1 12 8 13 1 13 9 14 1 14 12 15 1 15 12 16 1 16 13 17 1 17 13 18 1 18 15 19 1 19 16 20 1 20 17 21 1 21 18 22 1 22 19 23 1 23 20 24 ar 24 20 25 ar 25 21 23 1 26 22 26 ar 27 22 27 ar 28 23 28 1 29 28 29 1 30 29 30 ar 31 29 31 ar 32 1 33 1 33 2 34 1 34 3 35 1 35 3 36 1 36 4 37 1 37 4 38 1 38 5 39 1 39 6 40 1 40 6 41 1 41 7 42 1 42 7 43 1 43 8 44 1 44 8 45 1 45 9 46 1 46 9 47 1 47 10 48 1 48 11 49 1 49 12 50 1 50 13 51 1 51 14 52 1 52 15 53 1 53 15 54 1 54 16 55 1 55 16 56 1 56 17 57 1 57 17 58 1 58 18 59 1 59 18 60 1 60 19 61 1 61 19 62 1 62 21 63 1 63 21 64 1 64 23 65 1 65 28 66 1 66 28 67 1