@MOLECULE FDBD03179 65 67 0 0 0 SMALL USER_CHARGES @ATOM 1 C -5.0816 -1.5533 -1.0339 C.3 1 UNK -0.0653 2 C1 -3.5828 -1.8595 -1.0618 C.3 1 UNK -0.0559 3 C2 -3.3104 -2.9826 -2.0645 C.3 1 UNK -0.0533 4 C3 -1.8116 -3.2888 -2.0924 C.3 1 UNK -0.0531 5 C4 -1.5391 -4.4119 -3.0950 C.3 1 UNK -0.0531 6 C5 -0.0403 -4.7182 -3.1230 C.3 1 UNK -0.0531 7 C6 0.2321 -5.8413 -4.1256 C.3 1 UNK -0.0530 8 C7 1.7309 -6.1475 -4.1536 C.3 1 UNK -0.0527 9 C8 2.0034 -7.2706 -5.1562 C.3 1 UNK -0.0486 10 C9 3.5021 -7.5768 -5.1841 C.3 1 UNK -0.0245 11 P 3.8474 -8.8041 -6.4872 P.3 1 UNK -0.0425 12 C10 2.9456 -8.3545 -7.9956 C.ar 1 UNK -0.0191 13 C11 1.5638 -8.3157 -7.9891 C.ar 1 UNK -0.0539 14 C12 0.8765 -7.9731 -9.1385 C.ar 1 UNK -0.0612 15 C13 1.5711 -7.6688 -10.2943 C.ar 1 UNK -0.0617 16 C14 2.9529 -7.7067 -10.3005 C.ar 1 UNK -0.0612 17 C15 3.6403 -8.0451 -9.1499 C.ar 1 UNK -0.0539 18 C16 5.6278 -8.8338 -6.8334 C.ar 1 UNK -0.0191 19 C17 6.3908 -7.6993 -6.6288 C.ar 1 UNK -0.0539 20 C18 7.7475 -7.7219 -6.8926 C.ar 1 UNK -0.0612 21 C19 8.3414 -8.8792 -7.3606 C.ar 1 UNK -0.0617 22 C20 7.5787 -10.0139 -7.5643 C.ar 1 UNK -0.0612 23 C21 6.2227 -9.9925 -7.2964 C.ar 1 UNK -0.0539 24 C22 3.3125 -10.4452 -5.9293 C.ar 1 UNK -0.0191 25 C23 3.3289 -10.7567 -4.5826 C.ar 1 UNK -0.0539 26 C24 2.9212 -12.0073 -4.1575 C.ar 1 UNK -0.0612 27 C25 2.4967 -12.9461 -5.0790 C.ar 1 UNK -0.0617 28 C26 2.4794 -12.6343 -6.4256 C.ar 1 UNK -0.0612 29 C27 2.8830 -11.3823 -6.8503 C.ar 1 UNK -0.0539 30 H -5.2722 -0.7679 -0.3327 H 1 UNK 0.0230 31 H1 -5.6195 -2.4308 -0.7415 H 1 UNK 0.0230 32 H2 -5.4013 -1.2471 -2.0080 H 1 UNK 0.0230 33 H3 -3.2631 -2.1657 -0.0877 H 1 UNK 0.0263 34 H4 -3.0448 -0.9820 -1.3542 H 1 UNK 0.0263 35 H5 -3.6301 -2.6764 -3.0386 H 1 UNK 0.0265 36 H6 -3.8484 -3.8601 -1.7721 H 1 UNK 0.0265 37 H7 -1.4919 -3.5950 -1.1183 H 1 UNK 0.0265 38 H8 -1.2737 -2.4113 -2.3849 H 1 UNK 0.0265 39 H9 -1.8588 -4.1057 -4.0691 H 1 UNK 0.0265 40 H10 -2.0770 -5.2894 -2.8025 H 1 UNK 0.0265 41 H11 0.2794 -5.0244 -2.1489 H 1 UNK 0.0265 42 H12 0.4976 -3.8407 -3.4155 H 1 UNK 0.0265 43 H13 -0.0876 -5.5351 -5.0997 H 1 UNK 0.0265 44 H14 -0.3058 -6.7188 -3.8331 H 1 UNK 0.0265 45 H15 2.0506 -6.4537 -3.1795 H 1 UNK 0.0265 46 H16 2.2688 -5.2700 -4.4461 H 1 UNK 0.0265 47 H17 1.6837 -6.9644 -6.1303 H 1 UNK 0.0269 48 H18 1.4655 -8.1481 -4.8637 H 1 UNK 0.0269 49 H19 3.8037 -7.9693 -4.2355 H 1 UNK 0.0319 50 H20 4.0460 -6.6781 -5.3874 H 1 UNK 0.0319 51 H21 1.0453 -8.5425 -7.1261 H 1 UNK 0.0624 52 H22 -0.1551 -7.9445 -9.1337 H 1 UNK 0.0618 53 H23 1.0581 -7.4133 -11.1525 H 1 UNK 0.0618 54 H24 3.4714 -7.4824 -11.1642 H 1 UNK 0.0618 55 H25 4.6721 -8.0667 -9.1527 H 1 UNK 0.0624 56 H26 5.9475 -6.8355 -6.2791 H 1 UNK 0.0624 57 H27 8.3170 -6.8749 -6.7402 H 1 UNK 0.0618 58 H28 9.3542 -8.8960 -7.5579 H 1 UNK 0.0618 59 H29 8.0216 -10.8770 -7.9164 H 1 UNK 0.0618 60 H30 5.6545 -10.8416 -7.4421 H 1 UNK 0.0624 61 H31 3.6455 -10.0557 -3.8946 H 1 UNK 0.0624 62 H32 2.9338 -12.2400 -3.1522 H 1 UNK 0.0618 63 H33 2.1927 -13.8798 -4.7616 H 1 UNK 0.0618 64 H34 2.1652 -13.3362 -7.1138 H 1 UNK 0.0618 65 H35 2.8637 -11.1472 -7.8550 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 18 1 13 11 24 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 23 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 24 29 ar 27 24 25 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 1 30 1 33 1 31 1 34 1 32 1 35 2 33 1 36 2 34 1 37 3 35 1 38 3 36 1 39 4 37 1 40 4 38 1 41 5 39 1 42 5 40 1 43 6 41 1 44 6 42 1 45 7 43 1 46 7 44 1 47 8 45 1 48 8 46 1 49 9 47 1 50 9 48 1 51 10 49 1 52 10 50 1 53 13 51 1 54 14 52 1 55 15 53 1 56 16 54 1 57 17 55 1 58 19 56 1 59 20 57 1 60 21 58 1 61 22 59 1 62 23 60 1 63 25 61 1 64 26 62 1 65 27 63 1 66 28 64 1 67 29 65 1