REMARK Name = BDB049802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.562 0.415 1.426 0.00 0.00 +0.079 C ATOM 2 C LIG 1 0.191 -0.245 1.624 0.00 0.00 +0.041 C ATOM 3 C LIG 1 -0.784 0.101 0.502 0.00 0.00 +0.110 C ATOM 4 N LIG 1 -0.961 1.550 0.357 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -2.209 2.162 0.155 0.00 0.00 +0.282 C ATOM 6 O LIG 1 -2.381 3.349 0.430 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 0.141 2.403 0.801 0.00 0.00 +0.110 C ATOM 8 C LIG 1 1.484 1.716 0.614 0.00 0.00 +0.041 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.258 1.345 -0.435 0.00 0.00 +0.195 A ATOM 10 N LIG 1 -3.124 0.592 -1.576 0.00 0.00 -0.334 N ATOM 11 H LIG 1 -2.285 0.532 -2.135 0.00 0.00 +0.168 HD ATOM 12 C LIG 1 -4.317 -0.031 -1.835 0.00 0.00 +0.067 A ATOM 13 C LIG 1 -5.167 0.407 -0.822 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -6.500 -0.050 -0.804 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -6.917 -0.937 -1.814 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -6.037 -1.354 -2.816 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.712 -0.906 -2.849 0.00 0.00 +0.028 A ATOM 18 N LIG 1 -4.493 1.265 0.028 0.00 0.00 -0.223 NA BRANCH 14 19 ATOM 19 C LIG 1 -7.466 0.373 0.237 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -8.616 -0.052 0.251 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -7.030 1.257 1.180 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -7.679 1.593 1.877 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -6.088 1.643 1.149 0.00 0.00 +0.145 HD ENDBRANCH 14 19 ENDBRANCH 5 9 BRANCH 1 25 ATOM 24 C LIG 1 3.854 -0.360 0.922 0.00 0.00 +0.401 C ATOM 25 N LIG 1 2.503 -0.511 0.815 0.00 0.00 -0.278 N ATOM 26 H LIG 1 2.210 -1.154 0.092 0.00 0.00 +0.152 HD ATOM 27 O LIG 1 4.412 0.472 1.618 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 4.452 -1.270 0.121 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.523 -1.701 1.385 0.00 0.00 +0.055 C ATOM 30 C LIG 1 5.899 -1.339 0.033 0.00 0.00 +0.107 C ATOM 31 C LIG 1 6.174 -2.482 -0.956 0.00 0.00 +0.055 C ATOM 32 C LIG 1 6.484 -0.044 -0.541 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 25 TORSDOF 5