REMARK Name = BDB037706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.358 2.027 -0.300 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.705 1.129 -0.460 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.557 -0.243 -0.534 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.849 -0.786 -0.758 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.757 0.201 -0.754 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.766 -0.924 -0.367 0.00 0.00 +0.060 C ATOM 7 C LIG 1 1.878 0.043 -0.905 0.00 0.00 +0.116 C ATOM 8 C LIG 1 1.777 0.068 -2.459 0.00 0.00 +0.042 C ATOM 9 N LIG 1 -2.063 1.345 -0.569 0.00 0.00 -0.246 N ATOM 10 C LIG 1 1.675 1.536 -0.468 0.00 0.00 +0.245 C ATOM 11 O LIG 1 2.649 2.301 -0.422 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -2.193 -2.201 -1.009 0.00 0.00 +0.268 C ATOM 13 N LIG 1 -3.468 -2.652 -0.690 0.00 0.00 -0.277 N ATOM 14 C LIG 1 -4.519 -1.944 -0.019 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.511 -2.954 0.492 0.00 0.00 +0.014 C ATOM 16 C LIG 1 -4.994 -4.319 0.115 0.00 0.00 +0.043 C ATOM 17 C LIG 1 -4.765 -2.068 1.453 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -3.835 -4.063 -0.880 0.00 0.00 +0.180 C ATOM 19 O LIG 1 -1.359 -2.981 -1.477 0.00 0.00 -0.268 OA BRANCH 18 20 ATOM 20 C LIG 1 -4.266 -4.323 -2.269 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -4.625 -4.544 -3.352 0.00 0.00 -0.195 NA ENDBRANCH 18 20 ENDBRANCH 4 12 BRANCH 9 22 ATOM 22 C LIG 1 -2.844 2.577 -0.544 0.00 0.00 +0.114 C ATOM 23 C LIG 1 -3.943 2.630 -1.618 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -4.725 3.929 -1.490 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -5.271 4.059 -0.179 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -4.270 4.100 0.835 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.454 2.816 0.841 0.00 0.00 +0.055 C ENDBRANCH 9 22 BRANCH 7 28 ATOM 28 N LIG 1 3.272 -0.389 -0.608 0.00 0.00 -0.297 N ATOM 29 H LIG 1 3.912 -0.404 -1.391 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 3.857 -0.288 0.638 0.00 0.00 +0.245 C ATOM 31 O LIG 1 3.299 0.139 1.640 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 5.290 -0.684 0.713 0.00 0.00 +0.037 A ATOM 33 C LIG 1 6.108 -0.058 1.663 0.00 0.00 +0.025 A ATOM 34 C LIG 1 7.464 -0.401 1.777 0.00 0.00 +0.056 A ATOM 35 C LIG 1 7.982 -1.400 0.937 0.00 0.00 +0.012 A ATOM 36 C LIG 1 7.166 -2.035 -0.001 0.00 0.00 +0.001 A ATOM 37 C LIG 1 5.821 -1.682 -0.113 0.00 0.00 +0.013 A BRANCH 34 38 ATOM 38 C LIG 1 8.337 0.263 2.813 0.00 0.00 +0.417 C ATOM 39 F LIG 1 9.655 0.280 2.467 0.00 0.00 -0.166 F ATOM 40 F LIG 1 8.277 -0.364 4.019 0.00 0.00 -0.166 F ATOM 41 F LIG 1 8.000 1.562 3.046 0.00 0.00 -0.166 F ENDBRANCH 34 38 ENDBRANCH 30 32 ENDBRANCH 7 28 BRANCH 6 42 ATOM 42 C LIG 1 0.943 -1.389 1.068 0.00 0.00 -0.001 C ATOM 43 C LIG 1 0.267 -2.647 1.570 0.00 0.00 +0.004 C ATOM 44 C LIG 1 1.755 -2.621 1.398 0.00 0.00 +0.004 C ENDBRANCH 6 42 BRANCH 1 46 ATOM 45 C LIG 1 0.339 4.335 -1.209 0.00 0.00 +0.025 C ATOM 46 C LIG 1 0.257 3.446 0.025 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 8