
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -9.3693    1.4168   -2.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3132   -1.4353    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2786   -0.8930    2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7066   -1.1461    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7787   -0.0644    3.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7912    2.1381    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4216    0.5393   -1.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1278    2.2583   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7558    0.6713   -1.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9027   -0.1122   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -0.3039    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9337    1.2367   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6181    1.5233   -1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7934    0.2162    2.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6067    1.1570    0.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067    1.0188    2.6393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9500    1.6833   -1.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8838    2.1058   -3.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1971    0.3757   -3.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4483    1.5896   -2.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284   -2.0944    1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.1199    3.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6683   -1.6002   -0.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8184    0.3546    4.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4351    2.7231    1.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823   -0.1301   -1.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7910    2.9252    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0926    0.0725   -2.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.1176   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -0.9655    0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0742    1.9296   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3917    1.1848    1.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2 21  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  2  0  0  0  0
  7 26  1  0  0  0  0
  8  6  2  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  9  7  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  2  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 15 31  1  0  0  0  0
 16 14  1  0  0  0  0
 16 32  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z56943440

>  <Barcode>
9990531953

>  <Well>
G07

>  <Plate_ID>
816280-05

>  <MW>
229.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H15NO2/c1-17-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
