REMARK Name = BDB012642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.720 0.541 1.756 0.00 0.00 -0.332 N ATOM 2 C LIG 1 0.305 0.499 0.849 0.00 0.00 +0.117 A ATOM 3 C LIG 1 1.089 -0.570 1.237 0.00 0.00 +0.107 A ATOM 4 N LIG 1 0.557 -1.158 2.367 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -0.522 -0.468 2.654 0.00 0.00 +0.200 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 2.308 -1.026 0.573 0.00 0.00 +0.093 A ATOM 7 N LIG 1 3.246 -1.596 1.378 0.00 0.00 -0.251 NA ATOM 8 C LIG 1 4.411 -2.055 0.847 0.00 0.00 +0.143 A ATOM 9 C LIG 1 4.644 -1.937 -0.521 0.00 0.00 +0.130 A ATOM 10 C LIG 1 3.669 -1.352 -1.315 0.00 0.00 +0.089 A ATOM 11 N LIG 1 4.212 -1.409 -2.567 0.00 0.00 -0.257 N ATOM 12 H LIG 1 3.828 -1.095 -3.450 0.00 0.00 +0.191 HD ATOM 13 N LIG 1 5.431 -1.973 -2.558 0.00 0.00 -0.067 NA ATOM 14 N LIG 1 5.708 -2.304 -1.302 0.00 0.00 -0.128 NA ATOM 15 C LIG 1 2.464 -0.872 -0.807 0.00 0.00 +0.059 A ENDBRANCH 3 6 BRANCH 1 16 ATOM 16 C LIG 1 -1.796 1.517 1.804 0.00 0.00 +0.157 C BRANCH 16 20 ATOM 17 C LIG 1 -4.466 1.153 -1.565 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.397 0.133 -0.620 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.534 0.247 0.471 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -2.728 1.386 0.626 0.00 0.00 -0.028 A ATOM 21 C LIG 1 -2.808 2.407 -0.333 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -3.673 2.290 -1.422 0.00 0.00 +0.000 A ENDBRANCH 16 20 ENDBRANCH 1 16 TORSDOF 3