REMARK Name = BDB020614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.389 1.425 -1.694 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.560 0.335 -1.967 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.219 -0.541 -3.147 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.664 0.214 -1.173 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.878 1.214 -0.179 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.004 2.276 0.043 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -1.494 3.061 1.064 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -2.720 2.496 1.491 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.926 1.372 0.713 0.00 0.00 +0.100 A ATOM 10 C LIG 1 0.168 2.358 -0.751 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.629 2.941 2.539 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -3.120 3.540 3.700 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.981 3.975 4.711 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.358 3.820 4.571 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -5.876 3.230 3.420 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.016 2.793 2.409 0.00 0.00 +0.008 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.761 0.886 -1.856 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.586 0.909 -2.444 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 1.693 1.541 -2.402 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.812 2.203 -3.428 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 2.735 -0.025 -0.725 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 8.076 -1.819 0.720 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.724 -1.270 0.384 0.00 0.00 +0.016 A ATOM 24 N LIG 1 5.818 -2.137 -0.174 0.00 0.00 -0.326 N ATOM 25 H LIG 1 6.072 -3.104 -0.337 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.540 -1.798 -0.542 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.777 -2.629 -1.023 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.136 -0.371 -0.320 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.028 0.472 0.249 0.00 0.00 -0.039 A ATOM 30 C LIG 1 4.762 1.918 0.570 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.361 0.003 0.598 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -2.697 -0.924 -1.278 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -3.693 -0.541 -2.389 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -2.085 -2.270 -1.440 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -3.046 -3.378 -1.632 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -3.358 -4.153 -0.342 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -2.202 -4.765 0.243 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -0.980 -4.101 -0.109 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -1.175 -2.590 -0.305 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6