REMARK Name = BDB020732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.369 2.777 -1.073 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -0.914 1.700 -0.329 0.00 0.00 +0.055 A ATOM 3 N LIG 1 -1.615 0.550 -0.710 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -1.357 -0.749 -0.176 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -0.382 -0.867 0.773 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.335 0.346 1.196 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.054 -2.133 1.468 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -2.541 0.950 -1.657 0.00 0.00 +0.092 A ATOM 9 C LIG 1 0.071 1.561 0.687 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -2.416 2.299 -1.893 0.00 0.00 +0.028 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 0.197 6.687 -0.813 0.00 0.00 +0.118 A ATOM 12 N LIG 1 1.025 5.662 -1.097 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 0.487 4.419 -1.172 0.00 0.00 +0.121 A ATOM 14 C LIG 1 -0.857 4.129 -0.971 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.702 5.199 -0.702 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -1.171 6.488 -0.625 0.00 0.00 +0.044 A BRANCH 11 18 ATOM 17 C LIG 1 2.125 8.117 -0.891 0.00 0.00 +0.127 C ATOM 18 N LIG 1 0.683 8.005 -0.750 0.00 0.00 -0.332 N ATOM 19 H LIG 1 0.354 8.434 0.110 0.00 0.00 +0.147 HD ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 6 20 ATOM 20 C LIG 1 1.425 0.315 2.209 0.00 0.00 +0.245 C ATOM 21 N LIG 1 2.695 0.089 1.761 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.395 0.191 2.487 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 1.194 0.482 3.402 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 3.146 0.093 0.381 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 4.447 -0.630 0.280 0.00 0.00 +0.075 A ATOM 26 C LIG 1 4.407 -2.043 -0.199 0.00 0.00 +0.257 A ATOM 27 O LIG 1 3.360 -2.601 -0.513 0.00 0.00 -0.267 OA ATOM 28 N LIG 1 5.615 -2.695 -0.282 0.00 0.00 -0.326 N ATOM 29 H LIG 1 5.566 -3.656 -0.598 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 6.828 -2.141 0.052 0.00 0.00 +0.019 A ATOM 31 C LIG 1 8.036 -3.018 -0.055 0.00 0.00 +0.063 C ATOM 32 C LIG 1 6.868 -0.864 0.459 0.00 0.00 +0.067 A ATOM 33 C LIG 1 5.651 -0.085 0.531 0.00 0.00 +0.132 A BRANCH 33 34 ATOM 34 O LIG 1 5.789 1.206 0.999 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 6.269 2.086 -0.019 0.00 0.00 +0.277 C ENDBRANCH 33 34 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 6 20 BRANCH 4 36 ATOM 36 C LIG 1 -2.158 -1.951 -0.706 0.00 0.00 +0.101 C ATOM 37 C LIG 1 -1.655 -2.282 -2.128 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 -3.626 -1.787 -0.605 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 -4.383 -2.853 -1.291 0.00 0.00 +0.100 C ATOM 40 C LIG 1 -5.844 -2.977 -0.801 0.00 0.00 +0.100 C ATOM 41 N LIG 1 -5.970 -3.299 0.635 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 -4.775 -2.867 1.389 0.00 0.00 +0.100 C ATOM 43 C LIG 1 -4.101 -1.613 0.789 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 -6.281 -4.733 0.861 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 -6.489 -5.221 2.310 0.00 0.00 +0.402 C ATOM 46 F LIG 1 -6.878 -6.519 2.314 0.00 0.00 -0.169 F ATOM 47 F LIG 1 -5.347 -5.147 3.032 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -7.439 -4.512 2.956 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10