
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -2.4578    3.1724   -1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360    4.4150    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791    1.9929   -1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607    3.2331    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -1.0757   -0.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7828   -0.3668    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -2.4758   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601   -1.7998    1.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8230    5.5996   -1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847    0.7288    0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381    4.3872   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    2.0094    0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346   -0.2048   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    6.5833   -2.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    0.5110    0.8994 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998   -0.3740    0.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1057   -0.6603   -1.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -2.4112    0.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7638    3.1331   -2.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    5.3553    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0860    1.0538   -1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535    3.2734    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -0.4746   -1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915   -1.1402   -1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710    0.0756    2.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861    0.2411    1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363   -2.9386   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -3.1283   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331   -1.7909    2.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676   -2.4172    1.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681    0.7766    1.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117   -0.1281    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.2549    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  4 22  1  0  0  0  0
  5 16  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  5  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  6  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12 10  1  0  0  0  0
 14  9  3  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18  7  1  0  0  0  0
 18  8  1  0  0  0  0
M  END
>  <ID>
Z509756472

>  <Barcode>
0110705773

>  <Well>
G11

>  <Plate_ID>
816280-02

>  <MW>
245.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
