
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -2.9433   -1.2309   -2.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475   -0.0743   -1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -3.2148   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388   -2.0521   -1.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -2.7768   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -0.8321   -1.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406   -0.2586   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481   -0.2143   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203   -0.5474   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -1.2634   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9067   -1.0267    1.3045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -1.2063   -0.0901 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224    0.7894    0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2928   -0.1205   -1.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    1.0141    0.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8715   -1.2410   -2.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221   -2.2036   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4510   -1.1179   -3.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2472    0.0800   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0348    0.7684   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1398   -0.9948   -0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4948   -4.1518   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -3.3714    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1005   -1.8726   -1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9420   -2.2740   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -2.9868   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -3.3271    0.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    0.0283   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -0.5319   -2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9786    0.5594    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9526   -1.1929    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.0169    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712   -1.3482    1.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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 14  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  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 13  9  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <ID>
Z1259339735

>  <Barcode>
9990531676

>  <Well>
F05

>  <Plate_ID>
816280-06

>  <MW>
210.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H18N4O/c1-14(2)7-8-12-9(13-15-8)10(11)5-3-4-6-10/h3-7,11H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
