REMARK Name = BDB030248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.188 -0.606 1.698 0.00 0.00 +0.266 C ATOM 2 N LIG 1 1.108 -0.636 1.199 0.00 0.00 -0.296 N ATOM 3 C LIG 1 1.504 -0.510 -0.196 0.00 0.00 +0.112 C ATOM 4 C LIG 1 2.995 -0.651 -0.175 0.00 0.00 +0.022 C ATOM 5 C LIG 1 3.855 0.356 0.551 0.00 0.00 +0.068 C ATOM 6 C LIG 1 3.423 -0.925 1.225 0.00 0.00 +0.022 C ATOM 7 C LIG 1 2.207 -0.977 2.088 0.00 0.00 +0.112 C ATOM 8 O LIG 1 -0.407 -0.841 2.890 0.00 0.00 -0.268 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 5.338 0.512 0.151 0.00 0.00 +0.152 A ATOM 10 N LIG 1 5.812 0.849 -1.080 0.00 0.00 -0.242 N ATOM 11 H LIG 1 5.314 1.057 -1.936 0.00 0.00 +0.192 HD ATOM 12 N LIG 1 7.150 0.912 -1.049 0.00 0.00 -0.047 NA ATOM 13 N LIG 1 7.480 0.626 0.205 0.00 0.00 -0.023 NA ATOM 14 N LIG 1 6.361 0.370 0.964 0.00 0.00 -0.113 NA ENDBRANCH 5 9 BRANCH 1 17 ATOM 15 N LIG 1 -3.323 0.102 0.023 0.00 0.00 -0.334 N ATOM 16 C LIG 1 -2.632 -0.233 1.153 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -1.298 -0.290 0.782 0.00 0.00 +0.143 A ATOM 18 N LIG 1 -1.192 0.003 -0.571 0.00 0.00 -0.231 NA ATOM 19 C LIG 1 -2.415 0.240 -0.987 0.00 0.00 +0.200 A BRANCH 15 21 ATOM 20 C LIG 1 -5.404 -0.626 -1.102 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -4.765 0.298 -0.067 0.00 0.00 +0.082 C ATOM 22 C LIG 1 -5.112 1.760 -0.339 0.00 0.00 +0.030 C ENDBRANCH 15 21 ENDBRANCH 1 17 TORSDOF 3