REMARK Name = BDB064175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.697 -0.977 -0.082 0.00 0.00 +0.146 A ATOM 2 N LIG 1 -0.234 -1.673 -0.758 0.00 0.00 -0.132 NA ATOM 3 N LIG 1 -1.571 -1.301 -0.719 0.00 0.00 -0.132 NA ATOM 4 C LIG 1 -1.991 -0.258 0.025 0.00 0.00 +0.144 A ATOM 5 C LIG 1 -1.044 0.466 0.738 0.00 0.00 +0.049 A ATOM 6 C LIG 1 0.304 0.100 0.693 0.00 0.00 +0.049 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.348 0.129 0.055 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -3.929 0.091 1.415 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -5.393 0.591 1.387 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -6.248 -0.139 0.435 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -7.161 0.312 0.389 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -5.627 -0.103 -0.904 0.00 0.00 +0.100 C ATOM 13 C LIG 1 -4.173 -0.626 -0.917 0.00 0.00 +0.121 C ENDBRANCH 4 7 BRANCH 1 14 ATOM 14 N LIG 1 2.020 -1.422 -0.152 0.00 0.00 -0.298 N ATOM 15 H LIG 1 2.050 -2.257 -0.731 0.00 0.00 +0.154 HD BRANCH 14 20 ATOM 16 C LIG 1 7.076 1.288 -0.165 0.00 0.00 +0.044 C ATOM 17 C LIG 1 5.745 0.598 -0.142 0.00 0.00 -0.050 A ATOM 18 C LIG 1 4.570 1.310 -0.399 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.330 0.661 -0.408 0.00 0.00 +0.023 A ATOM 20 C LIG 1 3.236 -0.714 -0.174 0.00 0.00 +0.032 A ATOM 21 C LIG 1 4.421 -1.424 0.066 0.00 0.00 +0.023 A ATOM 22 C LIG 1 5.662 -0.779 0.078 0.00 0.00 +0.005 A ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 3