REMARK Name = BDB064070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.078 -0.696 -0.365 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.427 0.609 -0.385 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -1.797 0.844 -0.196 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.681 -0.220 0.015 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -2.166 -1.531 -0.003 0.00 0.00 +0.028 A ATOM 6 C LIG 1 -0.800 -1.767 -0.192 0.00 0.00 +0.015 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.090 -0.040 0.214 0.00 0.00 -0.237 N ATOM 8 C LIG 1 -4.846 1.105 0.465 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -4.335 2.474 0.719 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -6.168 0.701 0.475 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.141 -0.688 0.293 0.00 0.00 +0.061 A ATOM 12 C LIG 1 -7.284 -1.631 0.250 0.00 0.00 +0.067 C ATOM 13 N LIG 1 -4.894 -1.140 0.173 0.00 0.00 -0.171 NA ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 N LIG 1 2.382 -0.051 -0.008 0.00 0.00 -0.281 N ATOM 15 H LIG 1 1.973 0.674 0.569 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 1.527 -0.984 -0.563 0.00 0.00 +0.248 C ATOM 17 O LIG 1 1.843 -2.008 -1.156 0.00 0.00 -0.270 OA BRANCH 14 23 ATOM 18 C LIG 1 8.119 0.207 -0.130 0.00 0.00 +0.044 C ATOM 19 C LIG 1 6.623 0.116 -0.082 0.00 0.00 -0.049 A ATOM 20 C LIG 1 5.875 1.058 0.631 0.00 0.00 +0.020 A ATOM 21 C LIG 1 4.478 0.983 0.646 0.00 0.00 +0.039 A ATOM 22 BR LIG 1 3.534 2.302 1.645 0.00 0.00 -0.048 Br ATOM 23 C LIG 1 3.796 -0.028 -0.057 0.00 0.00 +0.048 A ATOM 24 C LIG 1 4.551 -0.952 -0.781 0.00 0.00 +0.025 A ATOM 25 C LIG 1 5.949 -0.879 -0.797 0.00 0.00 +0.005 A ENDBRANCH 14 23 ENDBRANCH 1 16 TORSDOF 3