
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.1516   -0.8352   -4.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8635    3.0570    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7715    3.9401    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    1.8027    1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    1.7867   -1.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833    2.2579   -2.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0718   -0.5153   -2.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.9769    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464    0.0309   -3.5574 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8839    0.0551   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010    3.2986    1.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1221    0.4216   -1.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    1.9924    1.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4805   -1.0261   -0.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0806    1.3691   -3.8301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.8401   -4.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4930   -1.8669   -4.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5787   -0.4335   -5.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9166    3.3008    1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783    5.0222    1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7360    0.8131    0.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173    2.4849   -0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    1.7434   -1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0298    3.2554   -3.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4714    2.3062   -2.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1578   -0.6205   -2.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -1.5048   -2.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532    1.4506    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384    0.3872    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    0.0592   -3.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3 11  2  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  5  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 12  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z217038356

>  <Barcode>
0110706026

>  <Well>
B03

>  <Plate_ID>
816280-03

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c1-9-7-12(5-6-15-9)10(14)8-13-4-2-3-11-13/h2-4,9H,5-8H2,1H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
