
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -1.3501   -2.7404   -3.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893    3.6439    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0963    2.2639   -0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    3.3910    0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -3.0518   -1.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -1.2082   -3.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2482   -2.1002   -0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818   -0.2355   -2.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    1.3950   -0.3040 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0329   -0.0959   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502    1.9632    0.7044 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -2.6032   -3.2097 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1769   -0.7158   -0.9636 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023   -0.7165    0.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336   -2.1772   -2.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024   -2.3985   -4.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6508   -3.7936   -3.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    4.3221    0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9282    4.0767   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4858    1.9694    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5742    2.2319   -1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7911    4.0028    0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8287    3.6366    1.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158   -4.0580   -1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -3.1485   -1.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168   -0.8471   -4.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122   -1.2022   -3.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438   -2.1031   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671   -2.4507    0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.7541   -2.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666   -0.1499   -2.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063    1.5199   -1.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    1.7708    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  2  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 11  9  1  0  0  0  0
 11 33  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z241832786

>  <Barcode>
9990531653

>  <Well>
H06

>  <Plate_ID>
816280-06

>  <MW>
197.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9/h9,11H,2-8H2,1H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
