T-D265C-OH-Pro-amanitin
     RDKit          2D

 99105  0  0  1  0  0  0  0  0999 V2000
   -6.6122    1.6988    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037   -0.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -3.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4761    2.7007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6811   -4.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1977   -5.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -7.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2667    6.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4974    6.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3775   -4.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4465    7.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7026    4.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1681   -1.2056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    0.6110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9068   -1.7048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9350    4.1311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3724   -3.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2421    0.0316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1149    5.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7092   -2.6359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    6.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2118    0.8842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4147    4.8116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674   -1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915   -0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279   -1.9656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    2.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9564   -2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1857   -5.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001    3.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7341   -5.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3219   -2.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6471    4.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2388   -6.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7642   -2.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8149   -1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -7.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8800    4.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3563   -1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3867    4.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7322    0.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0108    3.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    5.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2520   -2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2575   -3.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9453   -1.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5435    2.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0918    2.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2674   -3.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540   -2.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9440   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5665    5.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5965    1.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9761   -4.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0598    5.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6694   -3.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4677    3.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8132   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9421    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0481    2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474   -1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4426   -1.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0863   -3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959   -3.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5815   -3.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251   -4.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7203   -4.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5718   -3.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   -2.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330   -2.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   -3.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7107   -5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2059   -5.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8592   -6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0574   -3.9910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5526   -4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4041   -2.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7604   -1.5212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6120   -0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9683    1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8198    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1761    3.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0276    4.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3840    6.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2355    7.4829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8496   -6.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1963   -5.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8993   -2.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7508   -1.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5430   -4.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1072   -0.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7370    8.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9284    9.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1633    8.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7350    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6463    6.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2994    9.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 43  1  0
  1 44  1  0
  2 26  1  0
  2 63  1  0
  3 28  2  0
  4 29  2  0
  5 33  1  0
  6 34  2  0
  7 39  1  0
  8 42  2  0
  9 45  2  0
 10 47  2  0
 11 54  2  0
 12 59  2  0
 13 60  2  0
 14 24  1  0
 14 27  1  0
 14 29  1  0
 15 28  1  0
 15 30  1  0
 16 32  1  0
 16 42  1  0
 17 34  1  0
 17 37  1  0
 18 43  1  0
 18 48  1  0
 19 40  1  0
 19 54  1  0
 20 47  1  0
 20 53  1  0
 21 45  1  0
 22 50  1  0
 22 60  1  0
 23 57  1  0
 23 59  1  0
 24 25  1  0
 24 28  1  0
 25 26  1  0
 26 27  1  0
 29 32  1  0
 30 31  1  0
 30 34  1  0
 31 33  1  0
 31 36  1  0
 32 35  1  0
 33 39  1  0
 35 45  1  0
 37 38  1  0
 37 47  1  0
 38 41  1  0
 40 42  1  0
 40 44  1  0
 41 43  2  0
 41 46  1  0
 46 48  2  0
 46 51  1  0
 48 52  1  0
 49 50  1  0
 49 55  1  0
 49 61  1  0
 50 59  1  0
 51 56  2  0
 52 58  2  0
 53 60  1  0
 54 57  1  0
 55 62  1  0
 56 58  1  0
 63 64  1  0
 63 66  2  0
 64 65  1  0
 65 67  1  0
 67 72  1  0
 67 68  2  0
 68 69  1  0
 69 70  2  0
 70 71  1  0
 70 73  1  0
 71 72  2  0
 73 74  1  0
 74 75  1  0
 74 76  2  0
 75 77  1  0
 75 88  1  0
 77 78  1  0
 78 79  1  0
 78 89  2  0
 79 80  1  0
 79 90  1  0
 80 81  1  0
 81 82  1  0
 81 93  2  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 97  1  0
 87 94  1  0
 90 91  1  0
 90 92  1  0
 94 95  1  0
 94 99  2  0
 95 96  2  0
 96 97  1  0
 97 98  2  0
M  END
>  <s_m_entry_id>  (1) 
32

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
