REMARK Name = BDB065383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.575 -0.139 1.483 0.00 0.00 -0.251 N ATOM 2 N LIG 1 0.691 0.762 0.496 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 -0.419 0.697 -0.227 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -1.242 -0.256 0.324 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.617 -0.798 1.426 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.549 -0.600 -0.210 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.990 -0.002 -1.398 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -4.242 -0.313 -1.939 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -5.085 -1.230 -1.300 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.649 -1.831 -0.112 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -3.395 -1.520 0.426 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.441 -1.561 -1.885 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N LIG 1 -7.376 -0.440 -1.815 0.00 0.00 -0.295 N ATOM 14 C LIG 1 -7.648 0.286 -2.979 0.00 0.00 +0.350 A ATOM 15 O LIG 1 -7.130 -0.013 -4.053 0.00 0.00 -0.244 OA ATOM 16 N LIG 1 -8.523 1.344 -2.898 0.00 0.00 -0.178 NA ATOM 17 C LIG 1 -9.051 1.661 -1.758 0.00 0.00 +0.123 A ATOM 18 C LIG 1 -8.776 0.933 -0.505 0.00 0.00 +0.061 A ATOM 19 C LIG 1 -7.938 -0.096 -0.606 0.00 0.00 +0.094 A BRANCH 17 20 ATOM 20 N LIG 1 -9.912 2.724 -1.749 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -10.179 2.997 -2.690 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -10.698 2.671 -1.114 0.00 0.00 +0.144 HD ENDBRANCH 17 20 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 23 ATOM 23 C LIG 1 1.637 -0.300 2.453 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 2.689 -1.305 1.987 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 3.802 -1.534 3.016 0.00 0.00 +0.006 C BRANCH 25 26 ATOM 26 C LIG 1 4.682 -0.312 3.309 0.00 0.00 +0.035 C BRANCH 26 30 ATOM 27 C LIG 1 6.996 0.990 -0.107 0.00 0.00 +0.059 A ATOM 28 C LIG 1 7.364 -0.161 0.601 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.615 -0.578 1.706 0.00 0.00 +0.004 A ATOM 30 C LIG 1 5.490 0.148 2.121 0.00 0.00 -0.047 A ATOM 31 C LIG 1 5.125 1.299 1.411 0.00 0.00 +0.004 A ATOM 32 C LIG 1 5.872 1.716 0.305 0.00 0.00 +0.015 A BRANCH 27 33 ATOM 33 C LIG 1 7.758 1.481 -1.286 0.00 0.00 +0.339 C ATOM 34 O LIG 1 7.493 2.514 -1.881 0.00 0.00 -0.245 OA BRANCH 33 36 ATOM 35 C LIG 1 9.541 1.032 -2.725 0.00 0.00 +0.280 C ATOM 36 O LIG 1 8.768 0.628 -1.595 0.00 0.00 -0.464 OA ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 11