DIBAC-suc-PEG4-Val-Cit-PAB
     RDKit          2D

 92 96  0  0  1  0  0  0  0  0999 V2000
   16.8003   -4.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2504   -4.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3077   -3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9149   -2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9722   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4223   -1.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4796   -0.6856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0869    0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6368    1.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1442    1.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5943    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9871   -0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4372   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8300   -1.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2801   -2.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6728   -3.6679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3374   -1.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7514    3.2737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3013    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2440    2.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9085    5.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4584    5.4887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4011    4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7939    2.9770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9510    4.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8937    3.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4435    4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3862    3.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9361    3.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8788    2.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4287    2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3714    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9213    2.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4139    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566    0.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9064    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010    0.0461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -1.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -2.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -0.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1657   -1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6158   -1.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0086    0.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6731   -2.3786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0947   -3.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6644   -5.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0484   -5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2395   -7.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0466   -8.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6626   -7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4715   -6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4360   -5.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0144   -3.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4448   -2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0607   -1.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8696   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0625    0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4465    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6376   -1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5094   -3.8973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4872   -2.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9612   -3.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9389   -1.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4130   -2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3907   -1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.8647   -1.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8425   -0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3165   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2943    0.6784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7683    0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7460    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2200    1.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -27.1978    2.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -28.6718    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.6496    3.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -29.1533    4.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -31.1236    2.9790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -32.1013    4.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.5754    3.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8550   -5.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5736   -6.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9658    6.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4159    5.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5730    7.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8151   -3.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7578   -4.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.5531    4.9761    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -35.6907    3.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -33.4156    5.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -35.5309    6.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3 88  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6 87  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 18  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 84  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 46 57  1  0
 47 48  1  0
 48 49  2  0
 48 53  1  0
 49 50  1  0
 49 54  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 54 55  2  0
 54 83  1  0
 55 56  1  0
 55 62  1  0
 56 57  2  0
 56 61  1  0
 57 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
 62 63  1  0
 62 82  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  1  0
 76 77  1  0
 77 78  2  0
 77 79  1  0
 79 80  1  0
 80 81  1  0
 81 89  1  0
 82 83  2  0
 84 85  1  0
 84 86  1  0
 87 88  2  0
 89 90  2  0
 89 91  2  0
 89 92  1  0
M  END
>  <s_m_entry_id>  (1) 
70

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
