C4.4a-EC1
                    3D
 Structure written by MMmdl.
 84 88  0  0  1  0            999 V2000
   -3.4495   -2.9812    0.6441 C   0  0  0  0  0  0
   -3.2735   -1.6140    0.4675 C   0  0  0  0  0  0
   -3.6480   -1.0138   -0.7288 C   0  0  0  0  0  0
   -4.1986   -1.7810   -1.7486 C   0  0  0  0  0  0
   -4.3746   -3.1483   -1.5720 C   0  0  0  0  0  0
   -4.0001   -3.7484   -0.3757 C   0  0  0  0  0  0
   -3.4581    0.4618   -0.9193 C   0  0  0  0  0  0
   -2.9496    1.1352    0.0382 N   0  0  0  0  0  0
   -2.7551    2.4942   -0.1111 N   0  0  0  0  0  0
   -2.9095    3.2934   -1.1965 C   0  0  0  0  0  0
   -3.2903    2.5019   -2.4714 C   0  0  0  0  0  0
   -3.9193    1.0857   -2.2321 C   0  0  2  0  0  0
   -5.4157    1.1852   -2.2034 C   0  0  0  0  0  0
   -2.7296    4.5118   -1.1745 O   0  0  0  0  0  0
   -2.2684    3.1824    1.0810 C   0  0  0  0  0  0
   -0.7684    3.1824    1.0810 C   0  0  0  0  0  0
   -0.2684    1.7682    1.0810 C   0  0  0  0  0  0
    1.2316    1.7682    1.0810 C   0  0  0  0  0  0
    1.7183    2.4564   -0.1111 N   0  0  0  0  0  0
    1.9763    3.7615   -0.2006 C   0  0  0  0  0  0
    2.4622    4.1416   -1.5679 C   0  0  0  0  0  0
    1.8257    4.5369    0.7390 O   0  0  0  0  0  0
    3.8345    4.7380   -1.4630 C   0  0  0  0  0  0
    4.7716    3.7333   -0.8608 C   0  0  0  0  0  0
    6.1439    4.3297   -0.7559 C   0  0  0  0  0  0
    7.0810    3.3251   -0.1536 C   0  0  0  0  0  0
    6.6081    2.9551    1.1772 N   0  0  0  0  0  0
    6.9703    3.5937    2.2872 C   0  0  0  0  0  0
    6.2928    2.9227    3.3485 C   0  0  0  0  0  0
    5.5698    1.9287    2.8153 C   0  0  0  0  0  0
    5.7713    1.9453    1.4029 C   0  0  0  0  0  0
    5.2860    1.1964    0.5557 O   0  0  0  0  0  0
    7.7312    4.5581    2.3590 O   0  0  0  0  0  0
   -4.1850   -5.1847   -0.1903 N   0  0  0  0  0  0
   -5.0145   -5.9558   -0.8939 C   0  0  0  0  0  0
   -5.7264   -5.5211   -1.7944 O   0  0  0  0  0  0
   -4.9617   -7.3485   -0.4588 N   0  0  0  0  0  0
   -5.4688   -7.4542    0.9809 C   0  0  0  0  0  0
   -6.9489   -7.7126    0.8041 C   0  0  0  0  0  0
   -7.2123   -8.1294   -0.4965 C   0  0  0  0  0  0
   -5.9306   -8.1838   -1.2981 C   0  0  0  0  0  0
   -7.9841   -7.6020    1.7247 C   0  0  0  0  0  0
   -9.2846   -7.9054    1.3388 C   0  0  0  0  0  0
   -9.5480   -8.3217    0.0386 N   0  0  0  0  0  0
   -8.5120   -8.4364   -0.8811 C   0  0  0  0  0  0
   -3.1579   -3.4485    1.5755 H   0  0  0  0  0  0
   -2.8448   -1.0167    1.2615 H   0  0  0  0  0  0
   -4.4902   -1.3138   -2.6800 H   0  0  0  0  0  0
   -4.8033   -3.7456   -2.3660 H   0  0  0  0  0  0
   -2.3627    2.4044   -3.0362 H   0  0  0  0  0  0
   -3.9533    3.1217   -3.0754 H   0  0  0  0  0  0
   -3.6732    0.4130   -3.0548 H   0  0  0  0  0  0
   -5.8424    0.1962   -2.0366 H   0  0  0  0  0  0
   -5.7201    1.8529   -1.3974 H   0  0  0  0  0  0
   -5.7719    1.5788   -3.1554 H   0  0  0  0  0  0
   -2.6317    2.6686    1.9710 H   0  0  0  0  0  0
   -2.6317    4.2101    1.0810 H   0  0  0  0  0  0
   -0.4051    3.6962    1.9710 H   0  0  0  0  0  0
   -0.4051    3.6962    0.1910 H   0  0  0  0  0  0
   -0.6317    1.2544    0.1910 H   0  0  0  0  0  0
   -0.6317    1.2544    1.9710 H   0  0  0  0  0  0
    1.5949    0.7405    1.0810 H   0  0  0  0  0  0
    1.5949    2.2820    1.9710 H   0  0  0  0  0  0
    1.8279    1.7844   -0.8571 H   0  0  0  0  0  0
    1.7813    4.8716   -2.0055 H   0  0  0  0  0  0
    2.4989    3.2544   -2.2000 H   0  0  0  0  0  0
    3.7978    5.6251   -0.8308 H   0  0  0  0  0  0
    4.1876    5.0141   -2.4565 H   0  0  0  0  0  0
    4.8083    2.8461   -1.4929 H   0  0  0  0  0  0
    4.4185    3.4571    0.1328 H   0  0  0  0  0  0
    6.1072    5.2169   -0.1237 H   0  0  0  0  0  0
    6.4970    4.6059   -1.7494 H   0  0  0  0  0  0
    8.0782    3.7584   -0.0774 H   0  0  0  0  0  0
    7.1177    2.4379   -0.7858 H   0  0  0  0  0  0
    6.3706    3.1941    4.3914 H   0  0  0  0  0  0
    4.9371    1.2232    3.3342 H   0  0  0  0  0  0
   -3.5830   -5.5000    0.5570 H   0  0  0  0  0  0
   -5.2535   -6.5460    1.5461 H   0  0  0  0  0  0
   -4.9890   -8.2834    1.5039 H   0  0  0  0  0  0
   -5.5763   -9.2115   -1.3959 H   0  0  0  0  0  0
   -6.0342   -7.7790   -2.3062 H   0  0  0  0  0  0
   -7.7919   -7.2826    2.7401 H   0  0  0  0  0  0
  -10.0930   -7.8192    2.0526 H   0  0  0  0  0  0
   -8.7296   -8.7646   -1.8885 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 46  1  0  0  0
  2  3  2  0  0  0
  2 47  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  4 48  1  0  0  0
  5  6  1  0  0  0
  5 49  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 14  2  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 13 55  1  0  0  0
 15 16  1  0  0  0
 15 56  1  0  0  0
 15 57  1  0  0  0
 16 17  1  0  0  0
 16 58  1  0  0  0
 16 59  1  0  0  0
 17 18  1  0  0  0
 17 60  1  0  0  0
 17 61  1  0  0  0
 18 19  1  0  0  0
 18 62  1  0  0  0
 18 63  1  0  0  0
 19 20  1  0  0  0
 19 64  1  0  0  0
 20 21  1  0  0  0
 20 22  2  0  0  0
 21 23  1  0  0  0
 21 65  1  0  0  0
 21 66  1  0  0  0
 23 24  1  0  0  0
 23 67  1  0  0  0
 23 68  1  0  0  0
 24 25  1  0  0  0
 24 69  1  0  0  0
 24 70  1  0  0  0
 25 26  1  0  0  0
 25 71  1  0  0  0
 25 72  1  0  0  0
 26 27  1  0  0  0
 26 73  1  0  0  0
 26 74  1  0  0  0
 27 28  1  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 28 33  2  0  0  0
 29 30  2  0  0  0
 29 75  1  0  0  0
 30 31  1  0  0  0
 30 76  1  0  0  0
 31 32  2  0  0  0
 34 35  1  0  0  0
 34 77  1  0  0  0
 35 36  2  0  0  0
 35 37  1  0  0  0
 37 38  1  0  0  0
 37 41  1  0  0  0
 38 39  1  0  0  0
 38 78  1  0  0  0
 38 79  1  0  0  0
 39 40  1  0  0  0
 39 42  2  0  0  0
 40 41  1  0  0  0
 40 45  2  0  0  0
 41 80  1  0  0  0
 41 81  1  0  0  0
 42 43  1  0  0  0
 42 82  1  0  0  0
 43 44  2  0  0  0
 43 83  1  0  0  0
 44 45  1  0  0  0
 45 84  1  0  0  0
M  END
> <s_m_entry_id>
25

> <s_m_entry_name>
C4_4a-EC1.1

> <s_m_Source_Path>
D:\Project\ADC

> <s_m_Source_File>
C4_4a-EC1.sdf

> <i_m_Source_File_Index>
1

> <chiral flag>
0

> <version>
0

> <chiral flag>
1

$$$$
