REMARK Name = BDB031214 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.666 0.303 -0.006 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.798 0.464 0.810 0.00 0.00 +0.051 A ATOM 3 C LIG 1 2.960 -0.154 0.410 0.00 0.00 +0.069 A ATOM 4 C LIG 1 3.039 -0.909 -0.757 0.00 0.00 +0.067 A ATOM 5 N LIG 1 4.338 -1.390 -0.871 0.00 0.00 -0.306 N ATOM 6 H LIG 1 4.715 -1.966 -1.604 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 5.083 -0.939 0.229 0.00 0.00 +0.325 A ATOM 8 O LIG 1 6.257 -1.169 0.456 0.00 0.00 -0.247 OA ATOM 9 C LIG 1 1.961 -1.083 -1.587 0.00 0.00 +0.029 A ATOM 10 N LIG 1 4.212 -0.172 1.016 0.00 0.00 -0.306 N ATOM 11 H LIG 1 4.484 0.277 1.875 0.00 0.00 +0.170 HD ATOM 12 C LIG 1 0.766 -0.463 -1.198 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.545 0.919 0.366 0.00 0.00 -0.313 N ATOM 14 H LIG 1 -0.467 1.565 1.150 0.00 0.00 +0.152 HD BRANCH 13 16 ATOM 15 C LIG 1 -2.929 1.369 0.461 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -1.877 0.432 0.315 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -2.192 -0.917 0.116 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -3.522 -1.345 0.128 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -4.548 -0.431 0.352 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.251 0.919 0.540 0.00 0.00 +0.024 A BRANCH 15 21 ATOM 21 N LIG 1 -2.631 2.727 0.726 0.00 0.00 -0.357 N ATOM 22 H LIG 1 -3.408 3.343 0.501 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 -1.788 3.001 0.223 0.00 0.00 +0.142 HD ENDBRANCH 15 21 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 3