@MOLECULE FDBD02312 55 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0518 1.5456 -0.0207 C.3 1 UNK -0.0599 2 C1 -0.0076 0.0164 -0.0014 C.3 1 UNK -0.0135 3 C2 -1.4132 -0.5267 0.0106 C.ar 1 UNK 0.0470 4 C3 -2.0400 -0.7495 1.1934 C.ar 1 UNK 0.1516 5 C4 -3.3653 -1.2615 1.1746 C.ar 1 UNK 0.3203 6 N -4.0157 -1.4940 2.2934 N.2 1 UNK -0.2198 7 C5 -5.4241 -1.8950 2.2521 C.3 1 UNK 0.0801 8 C6 -5.5634 -3.3235 2.7821 C.3 1 UNK 0.1092 9 O -5.2013 -3.3562 4.1641 O.3 1 UNK -0.4899 10 C7 -5.2703 -4.5597 4.7917 C.ar 1 UNK 0.1237 11 C8 -5.6727 -5.6872 4.0902 C.ar 1 UNK -0.0194 12 C9 -5.7416 -6.9092 4.7301 C.ar 1 UNK -0.0548 13 C10 -5.4100 -7.0097 6.0689 C.ar 1 UNK -0.0418 14 C11 -5.4860 -8.3443 6.7646 C.3 1 UNK -0.0039 15 C12 -6.8395 -8.4777 7.4654 C.3 1 UNK 0.0516 16 O1 -6.9116 -9.7432 8.1252 O.3 1 UNK -0.3797 17 C13 -8.1426 -9.9700 8.8146 C.3 1 UNK 0.0449 18 C14 -8.1084 -11.3474 9.4798 C.3 1 UNK -0.0416 19 C15 -5.0083 -5.8879 6.7699 C.ar 1 UNK -0.0408 20 C16 -4.6472 -6.0010 8.2287 C.3 1 UNK -0.0391 21 C17 -4.9332 -4.6640 6.1331 C.ar 1 UNK -0.0056 22 C18 -4.4953 -3.4416 6.8980 C.3 1 UNK -0.0360 23 N1 -3.9511 -1.5076 -0.0505 N.ar 1 UNK -0.1787 24 C19 -3.2513 -1.2558 -1.1857 C.ar 1 UNK 0.2454 25 N2 -2.0378 -0.7811 -1.1452 N.ar 1 UNK -0.3107 26 Cl -1.2395 -0.4166 2.6974 Cl 1 UNK -0.0731 27 H 0.9463 1.9312 -0.0292 H 1 UNK 0.0233 28 H1 -0.5631 1.8987 0.8504 H 1 UNK 0.0233 29 H2 -0.5695 1.8764 -0.8968 H 1 UNK 0.0233 30 H3 0.5101 -0.3144 0.8747 H 1 UNK 0.0325 31 H4 0.5037 -0.3366 -0.8725 H 1 UNK 0.0325 32 H5 -5.7775 -1.8529 1.2430 H 1 UNK 0.0544 33 H6 -6.0020 -1.2310 2.8604 H 1 UNK 0.0544 34 H7 -4.9183 -3.9737 2.2289 H 1 UNK 0.0715 35 H8 -6.5770 -3.6478 2.6712 H 1 UNK 0.0715 36 H9 -5.9203 -5.6127 3.0911 H 1 UNK 0.0654 37 H10 -6.0408 -7.7480 4.2087 H 1 UNK 0.0622 38 H11 -4.7011 -8.4144 7.4884 H 1 UNK 0.0335 39 H12 -5.3783 -9.1285 6.0446 H 1 UNK 0.0335 40 H13 -7.6244 -8.4076 6.7415 H 1 UNK 0.0563 41 H14 -6.9472 -7.6935 8.1853 H 1 UNK 0.0563 42 H15 -8.9540 -9.9303 8.1182 H 1 UNK 0.0557 43 H16 -8.2769 -9.2162 9.5620 H 1 UNK 0.0557 44 H17 -7.9741 -12.1012 8.7324 H 1 UNK 0.0252 45 H18 -9.0301 -11.5172 9.9960 H 1 UNK 0.0252 46 H19 -7.2970 -11.3871 10.1762 H 1 UNK 0.0252 47 H20 -4.7644 -7.0156 8.5475 H 1 UNK 0.0278 48 H21 -5.2902 -5.3694 8.8053 H 1 UNK 0.0278 49 H22 -3.6306 -5.6983 8.3690 H 1 UNK 0.0278 50 H23 -4.4977 -2.5931 6.2461 H 1 UNK 0.0279 51 H24 -3.5077 -3.5949 7.2803 H 1 UNK 0.0279 52 H25 -5.1695 -3.2689 7.7107 H 1 UNK 0.0279 53 H26 -4.8680 -1.8625 -0.1005 H 1 UNK 0.4560 54 H27 -3.6893 -1.4442 -2.1009 H 1 UNK 0.1598 55 H28 -1.5663 -0.6043 -1.9912 H 1 UNK 0.1706 @BOND 1 1 2 1 2 2 3 1 3 3 25 ar 4 3 4 ar 5 4 5 ar 6 4 26 1 7 5 6 2 8 5 23 ar 9 6 7 1 10 7 8 1 11 8 9 1 12 9 10 1 13 10 21 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 1 18 13 19 ar 19 14 15 1 20 15 16 1 21 16 17 1 22 17 18 1 23 19 20 1 24 19 21 ar 25 21 22 1 26 23 24 ar 27 24 25 ar 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 2 31 1 33 7 32 1 34 7 33 1 35 8 34 1 36 8 35 1 37 11 36 1 38 12 37 1 39 14 38 1 40 14 39 1 41 15 40 1 42 15 41 1 43 17 42 1 44 17 43 1 45 18 44 1 46 18 45 1 47 18 46 1 48 20 47 1 49 20 48 1 50 20 49 1 51 22 50 1 52 22 51 1 53 22 52 1 54 23 53 1 55 24 54 1 56 25 55 1