REMARK Name = BDB022408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.932 -1.103 1.618 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.622 -0.719 1.277 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.698 -1.637 0.745 0.00 0.00 -0.015 A ATOM 4 C LIG 1 1.121 -2.963 0.564 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.415 -3.361 0.906 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.314 -2.437 1.433 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.672 -1.219 0.399 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.241 -1.497 -0.851 0.00 0.00 +0.133 A ATOM 9 F LIG 1 -0.536 -2.156 -1.785 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -2.538 -1.097 -1.180 0.00 0.00 +0.062 A ATOM 11 C LIG 1 -3.317 -0.399 -0.255 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.773 -0.115 0.997 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -1.468 -0.520 1.319 0.00 0.00 +0.013 A BRANCH 11 14 ATOM 14 N LIG 1 -4.617 -0.024 -0.658 0.00 0.00 -0.282 N ATOM 15 H LIG 1 -4.884 -0.304 -1.592 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -5.560 0.655 0.088 0.00 0.00 +0.241 C ATOM 17 O LIG 1 -5.446 1.054 1.240 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 -6.815 0.882 -0.684 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -7.916 1.345 -0.071 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -9.214 1.628 -0.769 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 -10.237 0.614 -0.483 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -10.711 0.689 0.902 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -11.371 0.775 -1.396 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 4.132 -0.324 3.676 0.00 0.00 +0.022 C ATOM 25 C LIG 1 3.902 -0.076 2.183 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 5.229 -0.026 1.408 0.00 0.00 +0.225 C ATOM 27 N LIG 1 5.053 0.276 0.074 0.00 0.00 -0.268 N ATOM 28 H LIG 1 4.125 0.354 -0.321 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 6.313 -0.207 1.958 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 6.053 0.417 -0.855 0.00 0.00 +0.147 A ATOM 31 N LIG 1 5.714 0.681 -2.121 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 6.892 0.755 -2.764 0.00 0.00 -0.280 N ATOM 33 H LIG 1 6.887 0.945 -3.760 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 7.968 0.556 -1.952 0.00 0.00 +0.041 A ATOM 35 C LIG 1 7.454 0.333 -0.697 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 9.451 0.582 -2.398 0.00 0.00 +0.037 C ATOM 37 C LIG 1 10.504 1.099 -1.456 0.00 0.00 +0.010 C ATOM 38 C LIG 1 10.433 -0.368 -1.768 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9