L5K
  CCTOOLS-0919241028

 50 54  0  0  0  0  0  0  0  0999 V2000
    5.7900   -4.4080   -0.1050 C   0  0  0  0  0
    6.8120   -3.4190   -0.6670 C   0  0  0  0  0
    5.3150   -3.1450   -0.8260 C   0  0  0  0  0
    4.7510   -3.3030   -2.1300 O   0  0  0  0  0
    4.7150   -2.0480    0.0140 C   0  0  0  0  0
    5.0110   -1.9510    1.1860 O   0  0  0  0  0
    3.8490   -1.1740   -0.5370 N   0  0  0  0  0
    3.2090   -0.2230    0.2650 C   0  0  0  0  0
    2.9040    1.0280   -0.2500 C   0  0  0  0  0
    2.8730   -0.5340    1.5770 C   0  0  0  0  0
    2.2400    0.4040    2.3700 C   0  0  0  0  0
    1.9400    1.6530    1.8620 C   0  0  0  0  0
    2.2690    1.9680    0.5490 C   0  0  0  0  0
    1.9590    3.2290    0.0340 N   0  0  0  0  0
    0.4660    3.8910    0.3060 S   0  0  0  0  0
    0.2360    3.8020    1.7050 O   0  0  0  0  0
    0.4350    5.1180   -0.4100 O   0  0  0  0  0
   -0.7190    2.8370   -0.4610 C   0  0  0  0  0
   -1.3590    1.8670    0.2810 C   0  0  0  0  0
   -2.2940    1.0370   -0.3290 C   0  0  0  0  0
   -3.1430   -0.0730    0.1440 C   0  0  0  0  0
   -3.3210   -0.6980    1.3740 C   0  0  0  0  0
   -4.2190   -1.7380    1.4890 C   0  0  0  0  0
   -4.9420   -2.1590    0.3840 C   0  0  0  0  0
   -5.9030   -3.2760    0.5180 N   0  3  0  0  0
   -6.0570   -3.8220    1.5970 O   0  0  0  0  0
   -6.5410   -3.6510   -0.4490 O   0  5  0  0  0
   -4.7730   -1.5460   -0.8400 C   0  0  0  0  0
   -3.8720   -0.4970   -0.9750 C   0  0  0  0  0
   -3.5170    0.2660   -2.0330 O   0  0  0  0  0
   -2.5870    1.1840   -1.6920 C   0  0  0  0  0
   -1.9320    2.1680   -2.4230 C   0  0  0  0  0
   -1.0110    2.9890   -1.8070 C   0  0  0  0  0
    5.6710   -5.3590   -0.6240 H   0  0  0  0  0
    5.6670   -4.4460    0.9780 H   0  0  0  0  0
    7.3630   -2.8050    0.0460 H   0  0  0  0  0
    7.3660   -3.7190   -1.5560 H   0  0  0  0  0
    4.4690   -2.4730   -2.5390 H   0  0  0  0  0
    3.6700   -1.2040   -1.4900 H   0  0  0  0  0
    3.1600    1.2700   -1.2710 H   0  0  0  0  0
    3.1060   -1.5090    1.9770 H   0  0  0  0  0
    1.9800    0.1600    3.3890 H   0  0  0  0  0
    1.4450    2.3840    2.4840 H   0  0  0  0  0
    2.6200    3.7170   -0.4830 H   0  0  0  0  0
   -1.1350    1.7510    1.3310 H   0  0  0  0  0
   -2.7580   -0.3700    2.2350 H   0  0  0  0  0
   -4.3600   -2.2260    2.4420 H   0  0  0  0  0
   -5.3420   -1.8830   -1.6940 H   0  0  0  0  0
   -2.1480    2.2920   -3.4740 H   0  0  0  0  0
   -0.5080    3.7540   -2.3810 H   0  0  0  0  0
  1  3  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  1  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  4 38  1  0  0  0
  5  3  1  0  0  0
  5  7  1  0  0  0
  6  5  2  0  0  0
  7 39  1  0  0  0
  8  7  1  0  0  0
  8  9  2  0  0  0
  9 13  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10  8  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 17  2  0  0  0
 15 18  1  0  0  0
 16 15  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 29  2  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 28 24  2  0  0  0
 28 48  1  0  0  0
 29 28  1  0  0  0
 30 29  1  0  0  0
 31 20  1  0  0  0
 31 30  1  0  0  0
 32 31  2  0  0  0
 32 49  1  0  0  0
 33 18  2  0  0  0
 33 32  1  0  0  0
 33 50  1  0  0  0
M  CHG  1  25   1
M  CHG  1  27  -1
M  END
$$$$
