REMARK Name = BDB013673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.056 0.869 0.583 0.00 0.00 -0.228 N ATOM 2 C LIG 1 -3.206 0.130 0.342 0.00 0.00 +0.275 A ATOM 3 O LIG 1 -4.345 0.591 0.374 0.00 0.00 -0.266 OA ATOM 4 C LIG 1 -3.010 -1.292 0.020 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.722 -1.811 -0.041 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -1.540 -3.153 -0.410 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -2.645 -3.966 -0.681 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.934 -3.446 -0.595 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -0.584 -0.897 0.264 0.00 0.00 +0.147 A ATOM 10 C LIG 1 -4.119 -2.108 -0.251 0.00 0.00 +0.014 A ATOM 11 N LIG 1 -0.788 0.360 0.530 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.095 3.117 -0.421 0.00 0.00 +0.029 C ATOM 13 C LIG 1 -2.153 2.297 0.858 0.00 0.00 +0.144 C ENDBRANCH 1 13 BRANCH 9 14 ATOM 14 N LIG 1 0.704 -1.409 0.262 0.00 0.00 -0.323 N ATOM 15 H LIG 1 0.783 -2.390 0.501 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 1.914 -0.666 0.648 0.00 0.00 +0.083 C ATOM 17 C LIG 1 1.907 -0.350 2.143 0.00 0.00 +0.029 C BRANCH 16 18 ATOM 18 C LIG 1 2.156 0.587 -0.236 0.00 0.00 +0.105 C BRANCH 18 19 ATOM 19 N LIG 1 3.503 1.193 -0.092 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 4.533 0.382 -0.746 0.00 0.00 +0.104 C ATOM 21 C LIG 1 3.502 2.540 -0.671 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 9 14 TORSDOF 5