@MOLECULE FDBD03250 52 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0573 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0004 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0203 4 C3 -0.0771 -0.1029 -2.4745 C.ar 1 UNK -0.0469 5 C4 -1.0502 -0.9510 -2.9691 C.ar 1 UNK -0.0583 6 C5 -1.7797 -0.5890 -4.0861 C.ar 1 UNK -0.0578 7 C6 -1.5365 0.6213 -4.7082 C.ar 1 UNK -0.0420 8 C7 -0.5640 1.4698 -4.2130 C.ar 1 UNK -0.0578 9 C8 0.1626 1.1097 -3.0934 C.ar 1 UNK -0.0583 10 C9 -2.3311 1.0155 -5.9265 C.3 1 UNK -0.0127 11 C10 -3.8174 1.0761 -5.5683 C.3 1 UNK -0.0560 12 C11 -1.8678 2.3894 -6.4150 C.3 1 UNK -0.0560 13 C12 -2.1150 -0.0188 -7.0330 C.3 1 UNK -0.0560 14 C13 0.7421 -0.5109 1.2415 C.3 1 UNK -0.0290 15 N -0.0103 -0.1391 2.4472 N.4 1 UNK 0.2354 16 C14 -1.3026 -0.8348 2.4965 C.3 1 UNK -0.0319 17 C15 -2.1177 -0.3163 3.6834 C.3 1 UNK -0.0123 18 C16 -1.3364 -0.5591 4.9778 C.3 1 UNK -0.0434 19 C17 0.0247 0.1356 4.8811 C.3 1 UNK -0.0123 20 C18 0.7776 -0.3961 3.6594 C.3 1 UNK -0.0319 21 H -0.5362 1.8802 -0.8565 H 1 UNK 0.0234 22 H1 0.9851 1.8962 0.0028 H 1 UNK 0.0234 23 H2 -0.5195 1.8709 0.8907 H 1 UNK 0.0234 24 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0353 25 H4 0.8099 -1.5630 -1.2205 H 1 UNK 0.0318 26 H5 1.6921 -0.0573 -1.3088 H 1 UNK 0.0318 27 H6 -1.2321 -1.8544 -2.5045 H 1 UNK 0.0620 28 H7 -2.5059 -1.2223 -4.4556 H 1 UNK 0.0621 29 H8 -0.3804 2.3721 -4.6791 H 1 UNK 0.0621 30 H9 0.8839 1.7461 -2.7197 H 1 UNK 0.0620 31 H10 -3.9686 1.7994 -4.7945 H 1 UNK 0.0238 32 H11 -4.1414 0.1153 -5.2266 H 1 UNK 0.0238 33 H12 -4.3816 1.3560 -6.4333 H 1 UNK 0.0238 34 H13 -2.0190 3.1127 -5.6411 H 1 UNK 0.0238 35 H14 -2.4320 2.6693 -7.2800 H 1 UNK 0.0238 36 H15 -0.8284 2.3470 -6.6655 H 1 UNK 0.0238 37 H16 -2.4390 -0.9796 -6.6913 H 1 UNK 0.0238 38 H17 -1.0756 -0.0612 -7.2835 H 1 UNK 0.0238 39 H18 -2.6792 0.2611 -7.8980 H 1 UNK 0.0238 40 H19 1.7168 -0.0712 1.2796 H 1 UNK 0.0817 41 H20 0.8329 -1.5759 1.1921 H 1 UNK 0.0817 42 H21 -0.1977 0.8626 2.4046 H 1 UNK 0.2033 43 H22 -1.1374 -1.8859 2.6095 H 1 UNK 0.0814 44 H23 -1.8397 -0.6530 1.5891 H 1 UNK 0.0814 45 H24 -3.0532 -0.8338 3.7280 H 1 UNK 0.0317 46 H25 -2.2978 0.7317 3.5644 H 1 UNK 0.0317 47 H26 -1.1928 -1.6102 5.1175 H 1 UNK 0.0269 48 H27 -1.8838 -0.1642 5.8080 H 1 UNK 0.0269 49 H28 0.5921 -0.0648 5.7659 H 1 UNK 0.0317 50 H29 -0.1177 1.1915 4.7831 H 1 UNK 0.0317 51 H30 1.7236 0.0977 3.5810 H 1 UNK 0.0814 52 H31 0.9322 -1.4494 3.7670 H 1 UNK 0.0814 @BOND 1 1 2 1 2 2 3 1 3 2 14 1 4 3 4 1 5 4 9 ar 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 7 10 1 11 8 9 ar 12 10 11 1 13 10 12 1 14 10 13 1 15 14 15 1 16 15 20 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 1 21 1 23 1 22 1 24 1 23 1 25 2 24 1 26 3 25 1 27 3 26 1 28 5 27 1 29 6 28 1 30 8 29 1 31 9 30 1 32 11 31 1 33 11 32 1 34 11 33 1 35 12 34 1 36 12 35 1 37 12 36 1 38 13 37 1 39 13 38 1 40 13 39 1 41 14 40 1 42 14 41 1 43 15 42 1 44 16 43 1 45 16 44 1 46 17 45 1 47 17 46 1 48 18 47 1 49 18 48 1 50 19 49 1 51 19 50 1 52 20 51 1 53 20 52 1