
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -4.4375   -0.0937   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886    1.5097   -2.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7651    1.1258   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162   -1.2890   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2866    0.4874   -1.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422    1.9855   -2.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0853   -0.0107   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    1.1545   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   -1.2619   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -0.0122   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8011    0.8972    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0641    2.3016   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6053   -0.0090   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447   -0.0373   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526    1.2151    0.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5213   -0.1185   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0412    1.0835   -3.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.3735   -2.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3269    2.0578   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -2.2417   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975   -0.4968   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3772    0.3721   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    2.8834   -2.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    1.2265   -2.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536    2.1116   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7659   -2.1961   -0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    0.0987    0.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3738    1.7694    0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6209    3.1916   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082    2.5869   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8886   -0.7550    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695   -0.4553   -1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  2  0  0  0  0
  9 26  1  0  0  0  0
 10  7  3  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13  7  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <ID>
Z57257264

>  <Barcode>
0110705909

>  <Well>
D06

>  <Plate_ID>
816280-01

>  <MW>
199.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
