REMARK Name = BDB024330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.001 0.407 1.225 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -0.867 0.799 1.877 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -1.071 1.208 2.778 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -3.067 0.659 1.806 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.469 0.729 1.490 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.816 0.271 0.284 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 2.141 0.213 -0.018 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.188 0.633 0.806 0.00 0.00 +0.049 A ATOM 9 C LIG 1 2.776 1.104 2.057 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.422 1.160 2.403 0.00 0.00 +0.045 A BRANCH 8 11 ATOM 11 N LIG 1 4.545 0.552 0.478 0.00 0.00 -0.318 N ATOM 12 C LIG 1 4.918 -0.178 -0.759 0.00 0.00 +0.201 C ATOM 13 C LIG 1 6.436 -0.298 -1.005 0.00 0.00 +0.233 C ATOM 14 O LIG 1 6.875 -1.136 -1.797 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 7.279 0.631 -0.397 0.00 0.00 -0.290 N ATOM 16 C LIG 1 6.822 1.362 0.782 0.00 0.00 +0.127 C ATOM 17 C LIG 1 5.346 1.766 0.699 0.00 0.00 +0.124 C BRANCH 15 18 ATOM 18 C LIG 1 8.732 0.452 -0.571 0.00 0.00 +0.221 C BRANCH 18 19 ATOM 19 C LIG 1 9.401 -0.538 0.388 0.00 0.00 +0.405 C ATOM 20 F LIG 1 9.345 -0.077 1.662 0.00 0.00 -0.169 F ATOM 21 F LIG 1 10.710 -0.687 0.079 0.00 0.00 -0.169 F ATOM 22 F LIG 1 8.830 -1.758 0.369 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 C LIG 1 -1.967 -0.299 -0.164 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 C LIG 1 -1.476 -1.743 -0.136 0.00 0.00 -0.022 A ATOM 25 C LIG 1 -0.901 -2.292 -1.295 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -0.451 -3.614 -1.315 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.578 -4.409 -0.179 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.160 -3.886 0.974 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -1.611 -2.564 0.996 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -3.280 -0.145 -0.870 0.00 0.00 -0.301 NA ATOM 31 H LIG 1 -3.603 0.804 -0.667 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.328 -1.074 -0.422 0.00 0.00 +0.089 C BRANCH 32 34 ATOM 33 C LIG 1 -5.696 -0.964 -2.571 0.00 0.00 +0.014 C ATOM 34 C LIG 1 -5.715 -0.765 -1.049 0.00 0.00 +0.030 C BRANCH 34 35 ATOM 35 C LIG 1 -6.263 0.584 -0.590 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -6.213 1.736 -1.387 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.705 2.957 -0.914 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -7.252 3.045 0.369 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -7.303 1.907 1.176 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -6.812 0.689 0.700 0.00 0.00 +0.005 A BRANCH 38 41 ATOM 41 C LIG 1 -7.750 4.298 0.856 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -8.153 5.314 1.248 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11