REMARK Name = BDB016025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.785 0.652 -0.222 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.441 0.557 -0.232 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.279 1.593 -0.699 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.344 2.764 -1.141 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.726 2.761 -1.087 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.468 1.729 -0.644 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.717 -1.575 0.793 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.967 -0.485 0.320 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.556 -0.503 0.283 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.917 -1.669 0.745 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.647 -2.760 1.220 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.039 -2.712 1.245 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.527 -2.817 0.697 0.00 0.00 +0.172 C ATOM 14 N LIG 1 8.292 -2.076 0.768 0.00 0.00 -0.274 N ATOM 15 N LIG 1 8.330 -0.738 0.890 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 7.040 -0.392 0.917 0.00 0.00 +0.142 A ATOM 17 C LIG 1 6.169 -1.504 0.817 0.00 0.00 +0.020 A ATOM 18 C LIG 1 7.025 -2.583 0.719 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -0.374 3.935 -1.610 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.010 4.708 -2.695 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -0.950 5.694 -2.793 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -1.005 6.750 -3.774 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -1.905 5.618 -1.849 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -1.548 4.554 -1.125 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.679 1.501 -0.717 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -2.009 1.808 -1.631 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.407 0.319 -0.246 0.00 0.00 +0.034 C ATOM 28 C LIG 1 -2.181 0.036 1.256 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -3.029 -1.158 1.721 0.00 0.00 +0.026 C ATOM 30 C LIG 1 -3.905 -1.689 0.571 0.00 0.00 +0.040 C ATOM 31 C LIG 1 -4.788 -0.548 0.048 0.00 0.00 +0.026 C ATOM 32 C LIG 1 -2.967 -2.121 -0.583 0.00 0.00 +0.026 C ATOM 33 C LIG 1 -3.921 0.632 -0.414 0.00 0.00 +0.027 C ATOM 34 C LIG 1 -2.119 -0.943 -1.082 0.00 0.00 +0.027 C BRANCH 30 35 ATOM 35 N LIG 1 -4.631 -2.887 1.013 0.00 0.00 -0.189 NA ATOM 36 H LIG 1 -4.086 -3.730 1.200 0.00 0.00 +0.148 HD BRANCH 35 37 ATOM 37 S LIG 1 -6.191 -2.983 1.580 0.00 0.00 +0.027 S ATOM 38 O LIG 1 -7.073 -2.286 0.674 0.00 0.00 -0.158 OA ATOM 39 O LIG 1 -6.389 -4.383 1.888 0.00 0.00 -0.158 OA ATOM 40 C LIG 1 -6.132 -2.104 3.126 0.00 0.00 +0.214 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7