If you end up going ahead with the booking, which ever seat/s, do not book with FB (if you are Aust based), ie, FlyBuys Travel, as this travel agency does not allow picked seats/seatings (esp online booking), and then after booking with them, Air New Zealand website won't allow picking seats as bookings made with a travel agency, best to book direct with Air New Zealand, either phone or online.
If you go to a physical travel agency, they might be able to pick seats for you there and then.
If its the 787, then bulkhead is good, as there is a bit of space, between you and the wall in front.
Have used their 787 and 777 premY, there is a bit of extra space, but of course, no space to put items during flight, that you would be able to on seats further back on the plane.
If you can afford premY, go for that, $$$$$ I know, but its then only 2 abreast, other wise its pretty tight down the back of Y.
I would pick premY over Y.
BusinessPremier would (grin) be wow, ideal, but of course, its out of consideration, as their fares are skyhigh.
I have not ever phoned up Air New Zealand and asked if they allow you to buy 3 seats for 2 people, not in the skycouch zone, but just 3 seats for 2 adults and a baby, might pay to phone up and ask.