REMARK Name = BDB026212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.374 -1.076 -0.698 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.750 0.177 -0.469 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.628 0.260 -0.234 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.427 -0.893 -0.223 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.797 -2.125 -0.447 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.502 -3.268 -0.414 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.575 -2.221 -0.684 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.801 -3.608 0.907 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.537 -2.312 0.527 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.446 -2.414 -0.636 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.220 -3.643 -0.715 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.832 -2.032 -1.920 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.290 -2.006 -1.937 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.771 -1.120 -0.880 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.535 -1.127 0.398 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.879 -0.788 0.045 0.00 0.00 -0.038 C ATOM 17 C LIG 1 3.338 0.153 1.133 0.00 0.00 +0.054 C ATOM 18 C LIG 1 4.764 -0.161 1.602 0.00 0.00 +0.110 C ATOM 19 N LIG 1 5.651 -0.319 0.433 0.00 0.00 -0.323 N ATOM 20 C LIG 1 5.275 -1.425 -0.461 0.00 0.00 +0.132 C ATOM 21 C LIG 1 3.786 -1.489 -0.661 0.00 0.00 -0.004 C BRANCH 19 22 ATOM 22 C LIG 1 7.008 -0.052 0.623 0.00 0.00 +0.067 A ATOM 23 C LIG 1 7.473 1.069 1.304 0.00 0.00 +0.138 A ATOM 24 N LIG 1 8.772 1.392 1.512 0.00 0.00 -0.225 NA ATOM 25 C LIG 1 9.669 0.546 0.980 0.00 0.00 +0.232 A ATOM 26 N LIG 1 9.374 -0.559 0.275 0.00 0.00 -0.225 NA ATOM 27 C LIG 1 8.053 -0.815 0.115 0.00 0.00 +0.138 A BRANCH 25 28 ATOM 28 C LIG 1 11.062 0.850 1.178 0.00 0.00 +0.140 C ATOM 29 N LIG 1 12.189 1.093 1.339 0.00 0.00 -0.188 NA ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -1.597 1.304 -0.538 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.549 1.054 -0.794 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.304 2.610 -0.239 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.256 3.062 0.205 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.467 3.523 -0.441 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.014 4.320 0.653 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.043 5.156 0.414 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.617 5.275 -0.949 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.551 6.030 -1.185 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.034 4.489 -1.913 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.420 4.582 -2.846 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.982 3.639 -1.677 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.415 4.150 2.020 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -2.550 2.862 2.441 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.069 4.906 2.946 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7