
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.3148   -5.9412   -0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321   -5.7820   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9728   -4.7761    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -5.0795    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357    1.2118    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5763   -3.3988   -0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180   -3.5631    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256    1.3416   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2484    0.1425    1.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3260   -2.7864    0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633   -0.5507    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981    0.5023   -0.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775   -0.7570    1.5587 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -1.4389   -0.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -6.8477    0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449   -6.1233   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -5.2505   -1.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111   -6.7819   -0.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731   -4.8463    1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -4.8952    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023   -5.4275    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -5.3578    1.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4059    1.9028    1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4218   -2.7242   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -3.4174   -1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -3.3344   -0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -3.1808    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2135    2.1372   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -0.0385    2.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5054   -2.7398    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397   -0.9219   -0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  2  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
>  <ID>
Z31244728

>  <Barcode>
0110706021

>  <Well>
C03

>  <Plate_ID>
816280-03

>  <MW>
191.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
