Caffeine.mol


 24 25  0  0  0                 1 V2000
    1.8281   -0.4417   -0.1328 N   0  0  0  0  0
    1.7900    1.0035   -0.1328 C   0  0  0  0  0
    0.5227    1.6938   -0.1327 N   0  0  0  0  0
   -0.5850    0.9284    0.2987 C   0  0  0  0  0
   -0.5240   -0.4611    0.4587 C   0  0  0  0  0
    0.6927   -1.2328    0.2728 C   0  0  0  0  0
   -1.8771    1.3715    0.5634 N   0  0  0  0  0
   -2.6237    0.2814    0.8813 C   0  0  0  0  0
   -1.8281   -0.8549    0.8279 N   0  0  0  0  0
    2.8291    1.6435   -0.2205 O   0  0  0  0  0
    0.8091   -2.4411    0.4140 O   0  0  0  0  0
   -2.2721   -2.2231    1.0879 C   0  0  0  0  0
    3.1548   -1.0932   -0.2471 C   0  0  0  0  0
    0.5000    3.1611    0.0337 C   0  0  0  0  0
   -3.6868    0.3193    1.1384 H   0  0  0  0  0
   -3.3016   -2.2232    1.4698 H   0  0  0  0  0
   -1.6195   -2.7079    1.8283 H   0  0  0  0  0
   -2.2387   -2.8238    0.1674 H   0  0  0  0  0
    3.0405   -2.1246   -0.6072 H   0  0  0  0  0
    3.6707   -1.1156    0.7227 H   0  0  0  0  0
    3.7853   -0.5504   -0.9649 H   0  0  0  0  0
   -0.5084    3.5424   -0.1743 H   0  0  0  0  0
    1.1994    3.6196   -0.6786 H   0  0  0  0  0
    0.7892    3.4681    1.0489 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 10  2  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6 11  2  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 12  1  0  0  0
 12 16  1  0  0  0
 12 17  1  1  0  0
 12 18  1  6  0  0
 13 19  1  0  0  0
 13 20  1  1  0  0
 13 21  1  6  0  0
 14 22  1  0  0  0
 14 23  1  6  0  0
 14 24  1  1  0  0
M  END