REMARK Name = BDB026210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.351 -1.386 0.323 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.456 -0.335 0.025 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.896 -0.434 0.377 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.401 -1.572 1.031 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.494 -2.607 1.306 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.897 -3.741 1.901 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.857 -2.521 0.965 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.219 -4.178 0.157 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.491 -2.947 -0.720 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.569 -2.152 -0.080 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.599 -1.790 -1.058 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.068 -0.945 0.631 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.972 -0.655 1.833 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.602 -1.069 1.119 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.707 -1.247 -0.040 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.180 -2.190 -1.075 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.833 -1.649 1.380 0.00 0.00 -0.022 C ATOM 18 C LIG 1 3.854 -0.706 0.809 0.00 0.00 +0.147 C ATOM 19 N LIG 1 5.088 -1.177 1.406 0.00 0.00 -0.259 N ATOM 20 C LIG 1 6.323 -0.638 1.183 0.00 0.00 +0.404 C ATOM 21 O LIG 1 7.353 -1.038 1.712 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.897 -2.277 2.317 0.00 0.00 +0.139 C ATOM 23 C LIG 1 3.428 -2.507 2.225 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 O LIG 1 6.277 0.401 0.303 0.00 0.00 -0.447 OA BRANCH 24 25 ATOM 25 C LIG 1 7.549 1.017 0.023 0.00 0.00 +0.189 C ATOM 26 C LIG 1 7.480 2.270 -0.877 0.00 0.00 +0.120 C ATOM 27 C LIG 1 8.594 2.882 -0.005 0.00 0.00 +0.256 C ATOM 28 F LIG 1 9.853 2.682 -0.457 0.00 0.00 -0.205 F ATOM 29 F LIG 1 8.478 4.202 0.256 0.00 0.00 -0.205 F ATOM 30 C LIG 1 8.138 1.932 1.120 0.00 0.00 +0.120 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.021 0.779 -0.635 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.026 0.671 -0.771 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -0.387 1.901 -1.106 0.00 0.00 +0.250 C ATOM 34 O LIG 1 0.814 2.146 -1.059 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.304 2.839 -1.822 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -2.461 3.500 -1.223 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -3.199 4.344 -1.973 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -2.848 4.604 -3.393 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -3.525 5.356 -4.081 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -1.735 3.953 -3.858 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -1.480 4.143 -4.821 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -0.974 3.099 -3.099 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.793 3.261 0.217 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -1.693 3.318 1.010 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -3.331 2.022 0.378 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7