REMARK Name = BDB061064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.240 -1.597 0.037 0.00 0.00 -0.312 N ATOM 2 H LIG 1 1.220 -2.409 -0.581 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 5.926 1.524 0.251 0.00 0.00 +0.176 C ATOM 4 N LIG 1 4.739 0.699 0.115 0.00 0.00 -0.232 N ATOM 5 C LIG 1 4.711 -0.322 -0.830 0.00 0.00 +0.283 A ATOM 6 O LIG 1 5.643 -0.549 -1.601 0.00 0.00 -0.265 OA ATOM 7 C LIG 1 3.459 -1.140 -0.874 0.00 0.00 +0.106 A ATOM 8 BR LIG 1 3.354 -2.483 -2.186 0.00 0.00 -0.043 Br ATOM 9 C LIG 1 2.441 -0.903 -0.031 0.00 0.00 +0.071 A ATOM 10 C LIG 1 2.723 0.135 0.993 0.00 0.00 +0.157 A ATOM 11 N LIG 1 3.771 0.887 1.066 0.00 0.00 -0.175 NA ENDBRANCH 1 9 BRANCH 1 12 ATOM 12 C LIG 1 -0.056 -1.046 0.161 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.115 -1.917 0.452 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -2.420 -1.441 0.613 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.694 -0.076 0.493 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -1.644 0.800 0.201 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -0.339 0.319 0.042 0.00 0.00 +0.023 A BRANCH 15 18 ATOM 18 C LIG 1 -4.105 0.439 0.648 0.00 0.00 +0.050 C BRANCH 18 19 ATOM 19 C LIG 1 -4.864 0.418 -0.683 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 N LIG 1 -6.228 0.919 -0.521 0.00 0.00 -0.330 NA ATOM 21 H LIG 1 -6.202 1.893 -0.222 0.00 0.00 +0.118 HD ATOM 22 H LIG 1 -6.696 0.914 -1.427 0.00 0.00 +0.118 HD ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 1 12 TORSDOF 5