REMARK Name = BDB060385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.200 0.809 0.728 0.00 0.00 -0.269 N ATOM 2 H LIG 1 0.371 1.313 1.585 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 1.320 0.289 0.096 0.00 0.00 +0.308 C ATOM 4 N LIG 1 2.467 0.910 0.574 0.00 0.00 -0.269 N ATOM 5 H LIG 1 2.319 1.801 1.022 0.00 0.00 +0.156 HD ATOM 6 O LIG 1 1.308 -0.583 -0.762 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -3.946 0.068 -0.015 0.00 0.00 +0.029 A ATOM 8 C LIG 1 -2.954 -0.395 -0.896 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -1.583 -0.174 -0.676 0.00 0.00 +0.025 A ATOM 10 C LIG 1 -1.151 0.532 0.440 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -2.114 1.026 1.319 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -3.481 0.798 1.090 0.00 0.00 +0.025 A BRANCH 7 14 ATOM 13 C LIG 1 -5.719 -1.067 -1.301 0.00 0.00 +0.129 C ATOM 14 N LIG 1 -5.312 -0.141 -0.245 0.00 0.00 -0.336 N ATOM 15 C LIG 1 -6.235 -0.032 0.884 0.00 0.00 +0.129 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 16 ATOM 16 C LIG 1 3.804 0.574 0.276 0.00 0.00 +0.037 A ATOM 17 C LIG 1 4.186 -0.616 -0.348 0.00 0.00 +0.056 A ATOM 18 C LIG 1 5.545 -0.864 -0.596 0.00 0.00 +0.128 A ATOM 19 C LIG 1 6.527 0.062 -0.222 0.00 0.00 +0.033 A ATOM 20 C LIG 1 6.145 1.241 0.412 0.00 0.00 +0.004 A ATOM 21 C LIG 1 4.793 1.492 0.663 0.00 0.00 +0.023 A BRANCH 18 22 ATOM 22 N LIG 1 5.949 -2.114 -1.249 0.00 0.00 +0.056 N ATOM 23 O LIG 1 5.118 -3.029 -1.316 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 7.108 -2.183 -1.686 0.00 0.00 -0.126 OA ENDBRANCH 18 22 ENDBRANCH 4 16 TORSDOF 4