
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.8863    1.5267   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064   -0.6891   -2.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -1.1525    2.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416    3.0510    2.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -0.3151    1.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536   -0.6935    0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5110    1.4682    1.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9436    0.5071   -1.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    0.1258    1.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518   -0.4042    0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    0.6595    2.2738 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8441    0.1074   -0.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726   -0.6010    1.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066    1.7561    2.1819 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -0.6172    0.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    1.1091   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0092    2.3989   -1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    1.8924   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0253   -1.4897   -2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4058   -1.1117   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -0.3860   -3.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855   -0.5955    3.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -1.1045    2.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -2.2051    2.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2755    3.0750    1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8065    3.2028    3.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187    3.8264    1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2070   -1.3126    1.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5381   -0.4325   -0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311   -1.7576    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7676    2.2477    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435    1.0065   -2.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0099   -0.1299   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  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
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 28  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  2  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  9  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 12 33  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z183344018

>  <Barcode>
9990531715

>  <Well>
C05

>  <Plate_ID>
816280-06

>  <MW>
210.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H18N4O/c1-8(2)12-10(15)13(3)6-9-5-11-14(4)7-9/h5,7-8H,6H2,1-4H3,(H,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
