REMARK Name = BDB013674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.445 1.178 -0.269 0.00 0.00 -0.228 N ATOM 2 C LIG 1 -3.490 0.291 -0.489 0.00 0.00 +0.275 A ATOM 3 O LIG 1 -4.644 0.629 -0.740 0.00 0.00 -0.266 OA ATOM 4 C LIG 1 -3.154 -1.140 -0.423 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.845 -1.527 -0.161 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -1.520 -2.892 -0.156 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -2.510 -3.853 -0.382 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.825 -3.460 -0.622 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -0.836 -0.458 0.078 0.00 0.00 +0.147 A ATOM 10 C LIG 1 -4.148 -2.104 -0.648 0.00 0.00 +0.014 A ATOM 11 N LIG 1 -1.155 0.803 -0.004 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -2.491 3.113 -1.792 0.00 0.00 +0.029 C ATOM 13 C LIG 1 -2.679 2.614 -0.369 0.00 0.00 +0.144 C ENDBRANCH 1 13 BRANCH 9 14 ATOM 14 N LIG 1 0.464 -0.815 0.396 0.00 0.00 -0.323 N ATOM 15 H LIG 1 0.586 -1.709 0.856 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 1.474 0.171 0.807 0.00 0.00 +0.083 C ATOM 17 C LIG 1 1.344 0.421 2.310 0.00 0.00 +0.029 C BRANCH 16 18 ATOM 18 C LIG 1 2.882 -0.373 0.428 0.00 0.00 +0.105 C BRANCH 18 19 ATOM 19 N LIG 1 4.033 0.459 0.837 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 5.285 -0.256 0.578 0.00 0.00 +0.104 C ATOM 21 C LIG 1 4.046 1.746 0.136 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 9 14 TORSDOF 5