@MOLECULE 72941803 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.7643 0.0483 0.3277 O.3 1 noname -0.2452 2 O2 -1.5867 -1.9601 1.6277 O.3 1 noname -0.2463 3 N1 -0.7086 4.7811 5.2417 N.3 1 noname -0.3141 4 C1 -0.6132 3.4897 4.5630 C.3 1 noname 0.0080 5 C2 -2.0168 2.9162 4.3581 C.3 1 noname 0.0147 6 C3 -1.9214 1.6266 3.6804 C.2 1 noname -0.0556 7 C4 0.0648 3.6765 3.2042 C.3 1 noname -0.0494 8 C5 -1.9491 1.5785 2.2498 C.2 1 noname -0.0200 9 C6 -1.3564 4.6025 6.5401 C.3 1 noname -0.0074 10 C7 -1.8021 0.4326 4.4547 C.2 1 noname -0.0618 11 C8 -1.8209 0.3004 1.6446 C.2 1 noname 0.0291 12 C9 -1.7100 -0.8726 2.4046 C.2 1 noname 0.0233 13 C10 -1.7095 -0.8492 3.8242 C.2 1 noname -0.0195 14 C11 -1.4563 5.9540 7.2503 C.3 1 noname -0.0527 15 C12 -1.8540 -1.3902 0.3310 C.3 1 noname 0.1587 16 H1 -0.0250 2.8023 5.1710 H 1 noname 0.0465 17 H2 -2.6049 3.6036 3.7501 H 1 noname 0.0332 18 H3 -2.4997 2.7831 5.3262 H 1 noname 0.0332 19 H4 0.2290 5.1641 5.3785 H 1 noname 0.1224 20 H5 0.1359 2.7137 2.6982 H 1 noname 0.0246 21 H6 -0.5234 4.3639 2.5961 H 1 noname 0.0246 22 H7 1.0647 4.0850 3.3501 H 1 noname 0.0246 23 H8 -2.0561 2.4246 1.6902 H 1 noname 0.0654 24 H9 -2.3564 4.1940 6.3941 H 1 noname 0.0425 25 H10 -0.7683 3.9151 7.1481 H 1 noname 0.0425 26 H11 -1.7825 0.4940 5.4726 H 1 noname 0.0626 27 H12 -1.6459 -1.7081 4.3708 H 1 noname 0.0651 28 H13 -1.9393 5.8209 8.2184 H 1 noname 0.0243 29 H14 -2.0444 6.6414 6.6423 H 1 noname 0.0243 30 H15 -0.4563 6.3625 7.3963 H 1 noname 0.0243 31 H16 -2.8470 -1.6931 -0.0013 H 1 noname 0.0892 32 H17 -1.1746 -1.8102 -0.4106 H 1 noname 0.0892 @BOND 1 1 11 1 2 1 15 1 3 2 12 1 4 2 15 1 5 4 3 1 6 3 9 1 7 3 19 1 8 4 5 1 9 4 7 1 10 4 16 1 11 5 6 1 12 5 17 1 13 5 18 1 14 6 8 2 15 6 10 1 16 7 20 1 17 7 21 1 18 7 22 1 19 8 11 1 20 8 23 1 21 9 14 1 22 9 24 1 23 9 25 1 24 10 13 2 25 10 26 1 26 11 12 2 27 12 13 1 28 13 27 1 29 14 28 1 30 14 29 1 31 14 30 1 32 15 31 1 33 15 32 1 @SUBSTRUCTURE 1 noname 1