@MOLECULE FDBD01990 43 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.2638 -0.7698 1.5088 C.3 1 UNK -0.0245 2 C1 1.8747 -2.1594 1.3172 C.3 1 UNK 0.1328 3 C2 2.3104 -2.3285 -0.1396 C.3 1 UNK 0.1261 4 O 3.1926 -1.2636 -0.4997 O.3 1 UNK -0.4883 5 C3 3.6752 -1.2648 -1.7709 C.ar 1 UNK 0.1209 6 C4 3.3017 -2.2675 -2.6535 C.ar 1 UNK -0.0165 7 C5 3.7918 -2.2689 -3.9448 C.ar 1 UNK -0.0159 8 C6 4.6577 -1.2673 -4.3591 C.ar 1 UNK 0.1287 9 C7 5.0312 -0.2645 -3.4762 C.ar 1 UNK -0.0159 10 C8 4.5365 -0.2602 -2.1867 C.ar 1 UNK -0.0165 11 O1 5.1406 -1.2688 -5.6300 O.3 1 UNK -0.4560 12 C9 4.6659 -2.2061 -6.4917 C.ar 1 UNK 0.1284 13 C10 3.5321 -1.9445 -7.2476 C.ar 1 UNK -0.0193 14 C11 3.0519 -2.8990 -8.1232 C.ar 1 UNK -0.0583 15 C12 3.6998 -4.1143 -8.2464 C.ar 1 UNK -0.0615 16 C13 4.8296 -4.3776 -7.4940 C.ar 1 UNK -0.0583 17 C14 5.3175 -3.4243 -6.6215 C.ar 1 UNK -0.0193 18 O2 3.0097 -2.3030 2.1735 O.3 1 UNK -0.4699 19 C15 2.7849 -2.7992 3.4161 C.ar 1 UNK 0.2150 20 C16 3.8478 -2.9566 4.2967 C.ar 1 UNK -0.0000 21 C17 3.6051 -3.4633 5.5613 C.ar 1 UNK -0.0553 22 C18 2.3011 -3.7963 5.9020 C.ar 1 UNK -0.0434 23 C19 1.2934 -3.6134 4.9764 C.ar 1 UNK 0.0314 24 N 1.5553 -3.1233 3.7794 N.ar 1 UNK -0.2213 25 H 0.4140 -0.6623 0.8676 H 1 UNK 0.0266 26 H1 1.9911 -0.0238 1.2651 H 1 UNK 0.0266 27 H2 0.9591 -0.6515 2.5277 H 1 UNK 0.0266 28 H3 1.1474 -2.9054 1.5609 H 1 UNK 0.0765 29 H4 1.4491 -2.3081 -0.7741 H 1 UNK 0.0734 30 H5 2.8159 -3.2646 -0.2543 H 1 UNK 0.0734 31 H6 2.6576 -3.0126 -2.3453 H 1 UNK 0.0655 32 H7 3.5139 -3.0150 -4.6014 H 1 UNK 0.0655 33 H8 5.6787 0.4783 -3.7829 H 1 UNK 0.0655 34 H9 4.8077 0.4905 -1.5325 H 1 UNK 0.0655 35 H10 3.0480 -1.0377 -7.1558 H 1 UNK 0.0654 36 H11 2.2089 -2.7048 -8.6859 H 1 UNK 0.0619 37 H12 3.3395 -4.8261 -8.9011 H 1 UNK 0.0618 38 H13 5.3088 -5.2871 -7.5844 H 1 UNK 0.0619 39 H14 6.1659 -3.6179 -6.0667 H 1 UNK 0.0654 40 H15 4.8056 -2.6991 4.0115 H 1 UNK 0.0671 41 H16 4.3758 -3.5907 6.2357 H 1 UNK 0.0620 42 H17 2.0874 -4.1765 6.8373 H 1 UNK 0.0633 43 H18 0.3230 -3.8631 5.2236 H 1 UNK 0.0831 @BOND 1 1 2 1 2 2 3 1 3 2 18 1 4 3 4 1 5 4 5 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 11 1 12 9 10 ar 13 11 12 1 14 12 17 ar 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 18 19 1 21 19 24 ar 22 19 20 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 1 25 1 28 1 26 1 29 1 27 1 30 2 28 1 31 3 29 1 32 3 30 1 33 6 31 1 34 7 32 1 35 9 33 1 36 10 34 1 37 13 35 1 38 14 36 1 39 15 37 1 40 16 38 1 41 17 39 1 42 20 40 1 43 21 41 1 44 22 42 1 45 23 43 1