
    alatis_output_mol

 35 36  0  0  0  0  0  0  0  0999 V2000
   -0.5197   -0.5569   -2.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5425   -0.8185    2.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1291    1.9534    1.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900   -3.8634    1.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0489   -5.6123    0.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791   -3.1003    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -4.8519   -0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1788   -2.7190    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1221   -0.3004   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350   -0.4451    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -1.2313    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483   -5.3144    1.4854 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881    0.9408   -0.5122 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.8124    0.7766 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159   -3.3840   -0.3984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    0.3602   -2.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532   -1.2829   -2.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -0.9486   -2.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3057    0.0076    3.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1050   -1.6554    2.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -1.1178    2.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    1.6522    2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9237    2.3477    0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3490    2.7023    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -3.6510    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835   -3.5129    2.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978   -6.6902    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473   -5.3767    1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224   -2.0296    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0995   -3.3713   -0.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394   -5.2431   -1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673   -5.0951   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0346   -2.9376   -0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401   -3.0954    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216   -5.7742    2.3917 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 10  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 14  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  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 15  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 12  4  1  0  0  0  0
 12  5  1  0  0  0  0
 12 35  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z1263820300

>  <Barcode>
0110705965

>  <Well>
G11

>  <Plate_ID>
816280-03

>  <MW>
208.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H20N4/c1-9-11(10(2)14(3)13-9)8-15-6-4-12-5-7-15/h12H,4-8H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
