
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.7211    4.1613    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230    3.7668   -2.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648   -1.4732    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034    3.6254    1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1735    3.4339   -1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1472    0.7090    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -0.2744   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -0.7835    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676    1.3535   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334   -0.8570    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3454   -1.3668    0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312    0.9091   -0.0878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565   -1.5192    0.0402 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056    2.7642   -0.1244 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2100    0.5496   -0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    4.7029   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9394    4.8587    1.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633    3.3596    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    4.4345   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    4.2677   -3.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855    2.8613   -2.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3375   -2.5592    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -1.1866   -0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0359   -1.1785    0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    4.4760    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    3.0731    1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6306    2.8034   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3032    4.3553   -0.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997    1.2171    0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2275   -0.3464   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  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  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  9  2  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 30  1  0  0  0  0
  8  6  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 15  1  0  0  0  0
 11 10  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z56791867

>  <Barcode>
0110705880

>  <Well>
F01

>  <Plate_ID>
816280-01

>  <MW>
205.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
