REMARK Name = BDB000207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.072 -0.826 -0.907 0.00 0.00 +0.159 C ATOM 2 C LIG 1 1.721 -0.108 -1.077 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.580 1.104 -0.922 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.705 -0.948 -1.455 0.00 0.00 -0.285 N ATOM 5 C LIG 1 0.918 -2.355 -1.718 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.492 -2.916 -1.911 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -1.282 -1.705 -2.423 0.00 0.00 +0.034 C ATOM 8 C LIG 1 1.719 -3.004 -0.594 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -0.675 -0.537 -1.640 0.00 0.00 +0.162 C ATOM 10 C LIG 1 2.883 -2.122 -0.105 0.00 0.00 +0.033 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 5.370 -0.096 -0.339 0.00 0.00 +0.230 C ATOM 12 N LIG 1 4.004 0.084 -0.258 0.00 0.00 -0.303 N ATOM 13 H LIG 1 3.646 1.012 -0.045 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 5.881 -1.077 -0.871 0.00 0.00 -0.274 OA BRANCH 11 15 ATOM 15 C LIG 1 6.171 1.044 0.331 0.00 0.00 +0.137 C BRANCH 15 16 ATOM 16 N LIG 1 5.855 1.071 1.775 0.00 0.00 -0.320 NA ATOM 17 H LIG 1 6.210 0.211 2.197 0.00 0.00 +0.119 HD ATOM 18 H LIG 1 4.843 1.029 1.894 0.00 0.00 +0.119 HD ENDBRANCH 15 16 BRANCH 15 20 ATOM 19 C LIG 1 8.500 2.041 0.636 0.00 0.00 +0.006 C ATOM 20 C LIG 1 7.679 0.876 0.100 0.00 0.00 +0.024 C ENDBRANCH 15 20 ENDBRANCH 11 15 ENDBRANCH 1 12 BRANCH 9 21 ATOM 21 C LIG 1 -1.394 -0.363 -0.285 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -2.581 0.331 -0.377 0.00 0.00 -0.303 N ATOM 23 H LIG 1 -2.829 0.800 -1.236 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -0.976 -0.845 0.765 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.406 0.601 0.789 0.00 0.00 +0.134 C BRANCH 25 26 ATOM 26 C LIG 1 -4.465 -0.475 1.019 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -4.960 -1.288 -0.016 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.945 -2.246 0.236 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.453 -2.405 1.523 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.980 -1.605 2.559 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.996 -0.646 2.310 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -3.961 2.018 0.674 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -5.190 2.304 0.057 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -5.639 3.621 -0.061 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.863 4.672 0.423 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.634 4.408 1.022 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.184 3.092 1.143 0.00 0.00 +0.006 A ENDBRANCH 25 32 ENDBRANCH 22 25 ENDBRANCH 9 21 TORSDOF 8