REMARK Name = BDB008338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.480 0.006 -0.174 0.00 0.00 -0.330 N ATOM 2 C LIG 1 -0.560 -0.483 0.865 0.00 0.00 +0.105 C ATOM 3 C LIG 1 0.782 -0.828 0.225 0.00 0.00 +0.024 C ATOM 4 C LIG 1 1.374 0.371 -0.534 0.00 0.00 +0.006 C ATOM 5 C LIG 1 0.343 0.925 -1.532 0.00 0.00 +0.024 C ATOM 6 C LIG 1 -1.001 1.214 -0.863 0.00 0.00 +0.105 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.042 0.932 0.583 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -5.658 -0.315 0.755 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -4.776 -1.416 0.782 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -3.415 -1.295 0.474 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -2.835 -0.059 0.177 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -3.678 1.052 0.247 0.00 0.00 +0.069 A BRANCH 8 13 ATOM 13 C LIG 1 -7.143 -0.566 1.069 0.00 0.00 +0.138 C ATOM 14 N LIG 1 -8.109 0.585 1.023 0.00 0.00 -0.284 NA ATOM 15 C LIG 1 -9.401 0.201 1.692 0.00 0.00 +0.059 C ATOM 16 C LIG 1 -9.211 0.045 3.212 0.00 0.00 +0.024 C ATOM 17 C LIG 1 -10.129 -1.054 1.106 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -9.176 -2.003 0.452 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -9.433 -3.198 -0.272 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -8.218 -3.600 -0.829 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -8.096 -4.742 -1.630 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -9.250 -5.494 -1.866 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -10.478 -5.110 -1.333 0.00 0.00 +0.001 A ATOM 24 N LIG 1 -7.271 -2.666 -0.466 0.00 0.00 -0.356 N ATOM 25 H LIG 1 -6.320 -2.673 -0.804 0.00 0.00 +0.166 HD ATOM 26 C LIG 1 -10.586 -3.961 -0.542 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -7.817 -1.744 0.387 0.00 0.00 +0.042 A BRANCH 14 28 ATOM 28 C LIG 1 -8.341 1.051 -0.380 0.00 0.00 +0.125 C BRANCH 28 29 ATOM 29 C LIG 1 -9.183 2.342 -0.578 0.00 0.00 +0.119 C ATOM 30 F LIG 1 -10.493 2.069 -0.287 0.00 0.00 -0.241 F ATOM 31 C LIG 1 -9.153 2.760 -2.049 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -8.744 3.505 0.303 0.00 0.00 +0.048 C ENDBRANCH 28 29 ENDBRANCH 14 28 ENDBRANCH 8 13 BRANCH 7 34 ATOM 33 C LIG 1 -5.656 2.534 2.100 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -5.714 2.119 0.733 0.00 0.00 -0.495 OA ENDBRANCH 7 34 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 2.675 -0.060 -1.244 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 3.388 1.048 -1.893 0.00 0.00 -0.299 NA ATOM 37 C LIG 1 4.417 0.586 -2.851 0.00 0.00 +0.110 C ATOM 38 C LIG 1 5.890 0.582 -2.371 0.00 0.00 +0.125 C ATOM 39 N LIG 1 6.273 1.892 -1.797 0.00 0.00 -0.318 N ATOM 40 C LIG 1 7.448 1.863 -1.036 0.00 0.00 +0.073 A ATOM 41 C LIG 1 8.077 0.635 -0.708 0.00 0.00 +0.147 A ATOM 42 O LIG 1 7.568 -0.598 -1.036 0.00 0.00 -0.488 OA ATOM 43 C LIG 1 9.279 0.642 -0.025 0.00 0.00 +0.025 A ATOM 44 C LIG 1 10.137 -0.499 0.397 0.00 0.00 +0.148 C ATOM 45 N LIG 1 11.216 0.165 1.121 0.00 0.00 -0.281 N ATOM 46 C LIG 1 11.119 1.547 1.044 0.00 0.00 +0.248 C ATOM 47 O LIG 1 11.904 2.377 1.460 0.00 0.00 -0.270 OA ATOM 48 C LIG 1 9.860 1.846 0.352 0.00 0.00 +0.045 A ATOM 49 C LIG 1 9.290 3.068 0.064 0.00 0.00 +0.015 A ATOM 50 C LIG 1 8.080 3.066 -0.638 0.00 0.00 +0.027 A ATOM 51 C LIG 1 5.176 2.804 -1.425 0.00 0.00 +0.121 C ATOM 52 C LIG 1 6.171 -0.531 -1.357 0.00 0.00 +0.252 C ATOM 53 C LIG 1 3.945 2.014 -0.918 0.00 0.00 +0.103 C BRANCH 45 54 ATOM 54 C LIG 1 12.452 -0.505 1.510 0.00 0.00 +0.163 C ATOM 55 C LIG 1 13.300 -0.912 0.291 0.00 0.00 +0.240 C ATOM 56 O LIG 1 13.115 -0.502 -0.853 0.00 0.00 -0.273 OA ATOM 57 N LIG 1 14.322 -1.797 0.552 0.00 0.00 -0.255 N ATOM 58 H LIG 1 14.855 -2.076 -0.261 0.00 0.00 +0.158 HD ATOM 59 C LIG 1 14.376 -2.673 1.605 0.00 0.00 +0.219 C ATOM 60 O LIG 1 15.098 -3.666 1.566 0.00 0.00 -0.275 OA ATOM 61 C LIG 1 13.522 -2.340 2.805 0.00 0.00 +0.098 C ATOM 62 C LIG 1 12.194 -1.734 2.376 0.00 0.00 +0.041 C ENDBRANCH 45 54 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 8