NMPC 100-1-Monopalmitin (14900)
APtclcactv01312403573D 0   0.00000     0.00000
 
 61 60  0  0  0  0  0  0  0  0999 V2000
   13.3274   -0.3745    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0689    0.4763   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5706    0.4540   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309   -0.4192    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    0.4316   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8326   -0.4416    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    0.4093   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343   -0.4639    0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758    0.3869   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -0.4863    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    0.3645   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6623   -0.5087    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208    0.3422   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1606   -0.5310    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4002    0.3070    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3021    1.4821   -0.2517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6133   -0.2520    0.1446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8076    0.5555   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0474   -0.3177    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3019    0.5562    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4502   -0.2378    0.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1075   -1.3068   -0.8546 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2107    0.2476   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3397   -0.7944    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3285   -1.1829   -0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0679    1.2847    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0567    0.8962   -1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8302   -1.2052   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8414   -0.8167    1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5696    1.2623    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5584    0.8739   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319   -1.2276   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3431   -0.8391    1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0713    1.2400    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0601    0.8515   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336   -1.2499   -0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448   -0.8615    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.2176    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5618    0.8291   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353   -1.2723   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3465   -0.8838    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0747    1.1953    0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0635    0.8068   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370   -1.2947   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.9062    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236    1.1729    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348    0.7844   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9331    0.7621   -1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1596   -1.3394   -0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483   -0.9509    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8086    1.3638    0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8199    0.9754   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9911   -0.8080    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2158    1.3645    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4058    0.9761   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2168    0.3496    0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1562   -0.8321   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(O)CO

> <USER_SUPPLIED_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(CO)O

$$$$
