REMARK Name = BDB006508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.231 -1.134 3.257 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.506 -1.528 2.016 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.013 -1.475 0.680 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.008 -1.932 -0.174 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.196 -2.008 -1.565 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.428 -1.608 -2.091 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.446 -1.135 -1.262 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.084 -2.250 0.617 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.252 -1.079 0.127 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.789 -2.019 1.948 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.764 -2.265 3.050 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.732 -0.721 -1.890 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.474 0.216 -1.202 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.013 0.742 -0.469 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.067 -1.181 -2.976 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.675 0.805 -1.777 0.00 0.00 +0.106 C ATOM 17 C LIG 1 -5.314 1.927 -2.754 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.609 1.315 -0.704 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -6.157 2.047 0.399 0.00 0.00 +0.166 A ATOM 20 F LIG 1 -4.846 2.297 0.541 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -7.045 2.521 1.363 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -6.585 3.213 2.414 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -8.410 2.286 1.247 0.00 0.00 +0.044 A ATOM 24 C LIG 1 -8.884 1.571 0.150 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -7.988 1.098 -0.810 0.00 0.00 +0.131 A ATOM 26 F LIG 1 -8.480 0.429 -1.862 0.00 0.00 -0.205 F ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 2.342 -2.805 0.113 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 3.470 -1.801 0.099 0.00 0.00 -0.028 A ATOM 29 C LIG 1 3.330 -0.546 -0.507 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.398 0.358 -0.533 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.639 0.033 0.035 0.00 0.00 -0.018 A ATOM 32 C LIG 1 5.777 -1.231 0.628 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.712 -2.138 0.656 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 6.761 0.986 0.007 0.00 0.00 -0.018 A ATOM 35 C LIG 1 7.197 1.556 -1.200 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.262 2.460 -1.228 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.910 2.810 -0.046 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.494 2.257 1.163 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.429 1.353 1.188 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 6