
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -3.2713    4.4654    2.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2058    5.7806    2.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8847    0.9860    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7987    2.5136    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    2.0731    1.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863    3.5862    0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243   -2.2027   -1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153   -3.1041   -1.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -3.3148   -2.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701   -4.1819   -2.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    1.2078    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -2.0867   -1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278    3.4041    1.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1497    0.1216   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0861   -4.3103   -2.6783 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760   -0.9843   -0.6207 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077    4.4507    2.2148 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    0.3048   -0.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    4.8429    3.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6455    5.1353    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407    3.4917    2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    6.2735    3.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    6.4041    1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166    5.7600    2.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2736   -0.0155    1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7483    2.7079   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    1.8446    2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    4.5719    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475   -1.4573   -1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555   -3.0783   -1.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -3.4293   -2.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503   -4.9963   -2.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329   -0.9847   -0.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  2  0  0  0  0
  4 26  1  0  0  0  0
  5  3  2  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6  4  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
  8 30  1  0  0  0  0
  9  7  2  0  0  0  0
  9 31  1  0  0  0  0
 10  8  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13  6  2  0  0  0  0
 15  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 16 33  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z85517292

>  <Barcode>
0110705818

>  <Well>
D11

>  <Plate_ID>
816280-02

>  <MW>
241.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H15N3O/c1-17(2)13-5-3-11(4-6-13)14(18)16-12-7-9-15-10-8-12/h3-10H,1-2H3,(H,15,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
