
    alatis_output_mol

 31 32  0  0  1  0  0  0  0  0999 V2000
   -5.5179   -0.8207   -2.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    0.4130    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565   -1.6206    1.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    0.4163    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6230   -2.0030    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1404   -2.3069    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7686   -1.3595   -1.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    1.2541   -0.2967 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0784   -1.8999    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -1.0309    0.1661 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0207    2.4287    0.3780 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030   -1.6886    1.7706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4574   -1.3810   -1.2224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7839   -0.9395   -0.1419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6284   -2.0028    0.0140 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1365    0.0323   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8263   -0.4793   -3.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1657   -1.5871   -2.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    0.4845   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6602    0.7952    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -1.0282    2.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6737   -2.6431    1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3389    0.5475    1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289    0.7220   -0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -2.9756    0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -2.0041    1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1142   -2.7521    1.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249    1.4658   -1.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232   -1.6594   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -2.0083    2.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9172   -0.7590    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  2  0  0  0  0
  6 27  1  0  0  0  0
  7 13  2  0  0  0  0
  8  4  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  6  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  6  0  0  0
 12  3  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13  9  1  0  0  0  0
 15  6  1  0  0  0  0
 15  7  1  0  0  0  0
M  END
>  <ID>
Z2444997446

>  <Barcode>
0110770185

>  <Well>
H10

>  <Plate_ID>
816280-08

>  <MW>
229.32

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
