REMARK Name = BDB011916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 0.171 0.182 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.211 -0.937 0.656 0.00 0.00 -0.284 N ATOM 3 C LIG 1 1.586 -0.730 1.157 0.00 0.00 +0.193 C ATOM 4 C LIG 1 2.043 -1.761 2.183 0.00 0.00 -0.015 A ATOM 5 C LIG 1 1.211 -2.825 2.580 0.00 0.00 -0.040 A ATOM 6 C LIG 1 1.647 -3.724 3.563 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.910 -3.585 4.137 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.743 -2.542 3.741 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.165 -2.973 1.987 0.00 0.00 +0.054 C ATOM 10 C LIG 1 3.312 -1.633 2.775 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -0.241 -2.328 0.606 0.00 0.00 +0.113 C ATOM 12 O LIG 1 0.064 1.293 0.239 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 2.515 -0.676 -0.088 0.00 0.00 +0.242 C ATOM 14 N LIG 1 2.683 0.620 -0.561 0.00 0.00 -0.279 N ATOM 15 H LIG 1 1.935 1.275 -0.316 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 2.931 -1.687 -0.649 0.00 0.00 -0.273 OA BRANCH 14 17 ATOM 17 C LIG 1 3.519 1.013 -1.630 0.00 0.00 +0.105 A ATOM 18 C LIG 1 3.180 2.185 -2.316 0.00 0.00 +0.147 A ATOM 19 F LIG 1 2.088 2.875 -1.950 0.00 0.00 -0.203 F ATOM 20 C LIG 1 3.937 2.655 -3.389 0.00 0.00 +0.040 A ATOM 21 C LIG 1 5.073 1.956 -3.788 0.00 0.00 +0.006 A ATOM 22 C LIG 1 5.448 0.803 -3.098 0.00 0.00 +0.040 A ATOM 23 C LIG 1 4.681 0.344 -2.024 0.00 0.00 +0.147 A ATOM 24 F LIG 1 5.151 -0.706 -1.337 0.00 0.00 -0.203 F ENDBRANCH 14 17 ENDBRANCH 3 13 BRANCH 1 25 ATOM 25 C LIG 1 -1.863 0.030 -0.471 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 N LIG 1 -2.629 1.205 -0.033 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -2.209 2.100 -0.258 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 -3.342 1.161 1.151 0.00 0.00 +0.230 C ATOM 29 O LIG 1 -3.530 0.120 1.780 0.00 0.00 -0.274 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.864 2.536 1.623 0.00 0.00 +0.137 C ATOM 31 C LIG 1 -2.742 3.266 2.356 0.00 0.00 +0.034 C BRANCH 30 32 ATOM 32 N LIG 1 -5.012 2.377 2.541 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -4.780 1.616 3.187 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -6.228 2.010 1.825 0.00 0.00 +0.101 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -1.810 -0.035 -2.022 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -1.008 1.112 -2.653 0.00 0.00 +0.010 C BRANCH 35 38 ATOM 37 C LIG 1 -1.423 -1.608 -4.016 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -1.298 -1.406 -2.511 0.00 0.00 +0.002 C ENDBRANCH 35 38 ENDBRANCH 25 35 ENDBRANCH 1 25 TORSDOF 8