
    alatis_output_mol

 36 36  0  0  0  0  0  0  0  0999 V2000
    1.1727    1.7292    1.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129    1.9302    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507   -4.4388   -5.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8942   -4.9759   -3.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906    0.1968   -1.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637   -1.6836   -1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008   -0.7665   -2.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413   -2.6294   -1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    0.1305    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651   -2.7698   -3.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602    1.2428    0.7541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -4.0154   -3.9354 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -0.3521   -1.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5826   -2.1557   -2.3945 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002   -0.4728    0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -2.1437   -3.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212    1.5588    2.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3501    2.7993    1.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401    1.2298    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    2.8826    0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    2.1421    1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720    1.3349    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5504   -3.7500   -5.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -4.5474   -5.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064   -5.4094   -4.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1520   -4.9003   -4.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -4.9112   -2.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3262   -5.9838   -3.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3322    0.2612   -2.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0844    1.2148   -1.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0593   -1.5883   -2.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4604   -2.1045   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -0.8299   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276   -0.3548   -2.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9854   -2.6389   -0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1937   -3.6264   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 13  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  5  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  6  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z57475068

>  <Barcode>
9990532007

>  <Well>
C01

>  <Plate_ID>
816280-05

>  <MW>
228.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H20N4O2/c1-11(2)9(15)13-5-7-14(8-6-13)10(16)12(3)4/h5-8H2,1-4H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	15
4	C	16
5	C	9
6	C	11
7	C	12
8	C	10
9	C	1
10	C	2
11	N	5
12	N	6
13	N	4
14	N	3
15	O	8
16	O	7
17	H	26
18	H	27
19	H	25
20	H	29
21	H	30
22	H	28
23	H	31
24	H	33
25	H	32
26	H	35
27	H	34
28	H	36
29	H	17
30	H	18
31	H	21
32	H	22
33	H	23
34	H	24
35	H	19
36	H	20


> <ALATIS_Mixture_Map>

$$$$
