REMARK Name = BDB064707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.557 -0.246 0.788 0.00 0.00 -0.312 N ATOM 2 C LIG 1 3.202 -0.733 -0.314 0.00 0.00 +0.165 A ATOM 3 C LIG 1 3.898 0.352 -0.823 0.00 0.00 +0.147 A ATOM 4 C LIG 1 4.660 0.122 -1.981 0.00 0.00 +0.147 A ATOM 5 N LIG 1 4.681 -1.126 -2.503 0.00 0.00 -0.219 NA ATOM 6 C LIG 1 3.945 -2.086 -1.900 0.00 0.00 +0.225 A ATOM 7 N LIG 1 3.696 1.474 -0.043 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 3.171 -1.985 -0.800 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 2.875 1.080 0.908 0.00 0.00 +0.201 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 5.410 1.109 -2.607 0.00 0.00 -0.341 N ATOM 11 H LIG 1 5.620 1.897 -2.003 0.00 0.00 +0.144 HD ATOM 12 H LIG 1 6.162 0.724 -3.162 0.00 0.00 +0.144 HD ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 C LIG 1 1.706 -1.010 1.677 0.00 0.00 +0.165 C BRANCH 13 14 ATOM 14 C LIG 1 0.266 -1.073 1.178 0.00 0.00 +0.250 C BRANCH 14 15 ATOM 15 O LIG 1 -0.347 0.197 1.416 0.00 0.00 -0.490 OA BRANCH 15 19 ATOM 16 C LIG 1 -4.311 0.916 0.313 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -3.772 -0.348 0.075 0.00 0.00 +0.049 A ATOM 18 C LIG 1 -2.445 -0.633 0.429 0.00 0.00 +0.049 A ATOM 19 C LIG 1 -1.648 0.345 1.023 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -2.189 1.609 1.260 0.00 0.00 +0.049 A ATOM 21 C LIG 1 -3.511 1.892 0.908 0.00 0.00 +0.049 A BRANCH 16 23 ATOM 22 C LIG 1 -6.428 0.369 -0.618 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.583 1.319 0.018 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6