REMARK Name = BDB018307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.458 -0.416 -0.941 0.00 0.00 -0.001 A ATOM 2 C LIG 1 -1.437 -1.300 -0.337 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.448 -2.606 -0.670 0.00 0.00 +0.098 A ATOM 4 N LIG 1 -2.355 -3.145 -1.564 0.00 0.00 -0.318 N ATOM 5 C LIG 1 -2.264 -4.562 -1.879 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -3.305 -2.367 -2.208 0.00 0.00 +0.252 A ATOM 7 O LIG 1 -4.111 -2.777 -3.038 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -3.324 -0.934 -1.833 0.00 0.00 +0.079 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -3.024 3.812 1.569 0.00 0.00 +0.172 C ATOM 10 N LIG 1 -2.820 2.834 0.529 0.00 0.00 -0.274 N ATOM 11 N LIG 1 -2.622 3.244 -0.739 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -2.477 2.103 -1.419 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -2.566 0.969 -0.586 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -2.801 1.477 0.672 0.00 0.00 +0.116 A ENDBRANCH 1 13 BRANCH 2 15 ATOM 15 C LIG 1 -0.433 -0.808 0.561 0.00 0.00 +0.022 A ATOM 16 C LIG 1 0.481 0.188 0.303 0.00 0.00 +0.117 A ATOM 17 N LIG 1 1.238 0.310 1.436 0.00 0.00 -0.267 N ATOM 18 N LIG 1 0.867 -0.542 2.419 0.00 0.00 -0.179 NA ATOM 19 C LIG 1 -0.142 -1.229 1.875 0.00 0.00 +0.143 A BRANCH 17 20 ATOM 20 C LIG 1 2.310 1.270 1.663 0.00 0.00 +0.178 C BRANCH 20 21 ATOM 21 C LIG 1 3.566 0.891 0.919 0.00 0.00 -0.026 A ATOM 22 C LIG 1 3.998 1.642 -0.184 0.00 0.00 +0.005 A ATOM 23 C LIG 1 5.160 1.286 -0.871 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.901 0.178 -0.463 0.00 0.00 +0.000 A ATOM 25 C LIG 1 5.482 -0.576 0.631 0.00 0.00 +0.000 A ATOM 26 C LIG 1 4.321 -0.222 1.319 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 2 15 TORSDOF 4