REMARK Name = BDB035901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.810 -1.158 -4.242 0.00 0.00 +0.047 C ATOM 2 C LIG 1 1.974 -0.519 -2.892 0.00 0.00 -0.007 A ATOM 3 C LIG 1 0.947 -0.577 -1.938 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.113 0.019 -0.689 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.015 -0.047 0.295 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.209 -0.783 -0.123 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.214 -1.312 -1.355 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.116 0.491 1.392 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.305 0.678 -0.372 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.345 0.745 -1.310 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -0.208 -1.236 -2.286 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.167 0.147 -2.568 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.365 -0.959 0.773 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.648 -0.551 0.377 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -4.761 -0.711 1.225 0.00 0.00 -0.003 A ATOM 16 C LIG 1 -4.566 -1.314 2.479 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.293 -1.716 2.883 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.199 -1.534 2.037 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -6.146 -0.238 0.762 0.00 0.00 +0.198 C ATOM 20 F LIG 1 -6.027 0.560 -0.353 0.00 0.00 -0.228 F BRANCH 19 21 ATOM 21 C LIG 1 -6.837 0.574 1.831 0.00 0.00 +0.175 A ATOM 22 N LIG 1 -6.588 1.900 2.086 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -5.662 2.769 1.412 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.392 2.244 3.129 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.097 1.204 3.502 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.751 0.153 2.689 0.00 0.00 -0.131 NA ENDBRANCH 19 21 BRANCH 19 27 ATOM 27 C LIG 1 -6.940 -1.466 0.331 0.00 0.00 +0.038 C ATOM 28 C LIG 1 -6.755 -2.094 -1.033 0.00 0.00 +0.008 C ATOM 29 C LIG 1 -8.029 -1.363 -0.714 0.00 0.00 +0.008 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.635 1.466 -0.972 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.318 0.903 0.197 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.873 -0.440 -0.009 0.00 0.00 +0.088 C ATOM 33 C LIG 1 7.398 -0.517 -0.191 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.847 0.011 -1.556 0.00 0.00 +0.009 C ATOM 35 C LIG 1 8.139 0.188 0.959 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.264 1.189 1.712 0.00 0.00 +0.016 C ATOM 37 C LIG 1 6.258 1.862 0.783 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6