REMARK Name = BDB008389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.467 0.436 -0.286 0.00 0.00 -0.278 N ATOM 2 H LIG 1 0.870 0.136 0.604 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 1.217 1.312 -1.040 0.00 0.00 +0.253 C ATOM 4 O LIG 1 0.897 1.776 -2.129 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 -1.347 -0.996 0.385 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.800 -0.117 -0.569 0.00 0.00 +0.077 A ATOM 7 C LIG 1 -1.523 0.161 -1.729 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -2.782 -0.428 -1.944 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.330 -1.308 -0.990 0.00 0.00 +0.075 A ATOM 10 N LIG 1 -4.530 -1.893 -1.156 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -5.220 -1.615 -2.284 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -4.767 -0.767 -3.276 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -3.528 -0.166 -3.101 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.600 -1.576 0.160 0.00 0.00 +0.075 A BRANCH 5 16 ATOM 15 C LIG 1 -1.088 -2.099 2.488 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -0.571 -1.217 1.500 0.00 0.00 -0.493 OA ENDBRANCH 5 16 ENDBRANCH 1 6 BRANCH 3 17 ATOM 17 C LIG 1 2.489 1.678 -0.438 0.00 0.00 +0.101 A ATOM 18 C LIG 1 3.030 1.269 0.767 0.00 0.00 +0.168 A ATOM 19 N LIG 1 4.270 1.909 0.879 0.00 0.00 -0.221 N ATOM 20 C LIG 1 5.074 1.703 1.996 0.00 0.00 +0.116 A ATOM 21 C LIG 1 4.670 0.888 2.980 0.00 0.00 +0.039 A ATOM 22 C LIG 1 3.339 0.255 2.770 0.00 0.00 +0.114 A ATOM 23 N LIG 1 4.531 2.694 -0.192 0.00 0.00 -0.173 NA ATOM 24 N LIG 1 2.561 0.423 1.742 0.00 0.00 -0.235 NA ATOM 25 C LIG 1 3.460 2.549 -0.974 0.00 0.00 +0.150 A ENDBRANCH 3 17 TORSDOF 3