REMARK Name = BDB012707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.810 -0.465 -0.261 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -1.531 -1.867 -0.207 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -0.140 -1.967 -0.226 0.00 0.00 +0.071 A ATOM 4 C LIG 1 0.534 -3.198 -0.180 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.247 -4.355 -0.116 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.634 -4.272 -0.099 0.00 0.00 +0.124 A ATOM 7 F LIG 1 -2.355 -5.400 -0.037 0.00 0.00 -0.205 F ATOM 8 N LIG 1 0.302 -0.670 -0.290 0.00 0.00 -0.261 N ATOM 9 C LIG 1 -2.298 -3.047 -0.143 0.00 0.00 +0.051 A ATOM 10 N LIG 1 -0.682 0.244 -0.309 0.00 0.00 -0.155 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -3.079 0.010 -0.258 0.00 0.00 -0.296 N ATOM 12 H LIG 1 -3.837 -0.674 -0.216 0.00 0.00 +0.154 HD BRANCH 11 14 ATOM 13 C LIG 1 -4.988 1.576 -0.285 0.00 0.00 +0.083 A ATOM 14 C LIG 1 -3.599 1.324 -0.302 0.00 0.00 +0.065 A ATOM 15 C LIG 1 -2.793 2.463 -0.364 0.00 0.00 +0.134 A ATOM 16 N LIG 1 -3.240 3.746 -0.408 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 -4.570 3.931 -0.390 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -5.474 2.892 -0.330 0.00 0.00 +0.036 A BRANCH 13 20 ATOM 19 O LIG 1 -7.236 0.715 -0.206 0.00 0.00 -0.245 OA ATOM 20 C LIG 1 -6.034 0.519 -0.222 0.00 0.00 +0.339 C BRANCH 20 21 ATOM 21 O LIG 1 -5.557 -0.742 -0.180 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 -6.380 -1.279 -0.142 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 8 23 ATOM 23 C LIG 1 1.683 -0.216 -0.336 0.00 0.00 +0.159 C BRANCH 23 24 ATOM 24 C LIG 1 2.241 0.008 1.075 0.00 0.00 +0.108 C BRANCH 24 25 ATOM 25 N LIG 1 3.638 0.456 1.195 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 3.874 1.786 0.603 0.00 0.00 +0.112 C ATOM 27 C LIG 1 5.330 2.232 0.818 0.00 0.00 +0.175 C ATOM 28 O LIG 1 6.249 1.279 0.264 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 6.054 -0.004 0.876 0.00 0.00 +0.175 C ATOM 30 C LIG 1 4.617 -0.506 0.658 0.00 0.00 +0.112 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 7