
    alatis_output_mol

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.6066   -0.4996   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928    0.8890   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2110   -0.2765    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2774   -1.2664   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4603   -1.2901   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    1.4895   -0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0641    0.5128    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2176   -1.4346   -1.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -1.5500   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -0.7735    0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2985    1.3687   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079    1.1440   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1912   -0.6946   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    0.7064   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9584    0.3170   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0814   -0.6359   -1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318    0.4527   -0.3296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811   -0.8584   -2.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878   -0.9664   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888    1.5034    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0463   -0.1258    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1544   -1.9051   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5568   -2.3734   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1625    2.5746    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.2770    1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2662   -2.2003   -2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2363   -1.8870   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -2.4372    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186   -1.4430    0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1316   -0.5294    1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183    1.8058    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    2.1865   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7021    1.4885    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895    2.0334   -0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003   -0.3475   -1.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  3 21  1  0  0  0  0
  4  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  6 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 25  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 17  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13  9  1  0  0  0  0
 13 14  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 18 16  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
>  <ID>
Z2856434881

>  <Barcode>
0110770219

>  <Well>
E05

>  <Plate_ID>
816280-08

>  <MW>
239.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C16H17NO/c18-16-8-4-3-7-15(16)12-17-10-9-13-5-1-2-6-14(13)11-17/h1-8,18H,9-12H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	16
3	C	15
4	C	18
5	C	13
6	C	12
7	C	11
8	C	14
9	C	9
10	C	8
11	C	4
12	C	3
13	C	6
14	C	5
15	C	2
16	C	7
17	N	1
18	O	10
19	H	34
20	H	33
21	H	32
22	H	35
23	H	30
24	H	29
25	H	28
26	H	31
27	H	25
28	H	26
29	H	23
30	H	24
31	H	21
32	H	22
33	H	19
34	H	20
35	H	27


> <ALATIS_Mixture_Map>

$$$$
