REMARK Name = BDB003341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.136 -1.441 -0.629 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.106 -0.808 -0.389 0.00 0.00 +0.039 A ATOM 3 C LIG 1 -1.278 -1.208 -1.057 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -2.507 -0.580 -0.785 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.601 0.468 0.140 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -1.450 0.880 0.826 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.257 -2.335 -2.055 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.144 -2.559 -2.592 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.227 0.234 0.549 0.00 0.00 +0.033 A ATOM 10 C LIG 1 1.121 -2.675 -1.429 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.839 0.887 -0.106 0.00 0.00 +0.128 A ATOM 12 N LIG 1 2.625 0.379 -0.422 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 2.426 -0.960 -0.273 0.00 0.00 +0.153 A ATOM 14 C LIG 1 3.437 -1.838 0.214 0.00 0.00 +0.111 A ATOM 15 C LIG 1 4.684 -1.247 0.523 0.00 0.00 +0.006 A ATOM 16 C LIG 1 5.721 -2.056 1.010 0.00 0.00 +0.011 A ATOM 17 C LIG 1 5.516 -3.416 1.193 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.275 -3.925 0.881 0.00 0.00 +0.111 A ATOM 19 N LIG 1 3.257 -3.176 0.405 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 4.889 0.123 0.358 0.00 0.00 +0.043 A BRANCH 11 24 ATOM 21 C LIG 1 2.816 4.414 -0.999 0.00 0.00 +0.128 C ATOM 22 N LIG 1 2.851 3.012 -0.685 0.00 0.00 -0.313 N ATOM 23 H LIG 1 2.052 2.418 -0.897 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 4.000 2.365 -0.284 0.00 0.00 +0.262 C ATOM 25 O LIG 1 5.075 2.917 -0.086 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -3.894 1.084 0.358 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -5.008 0.409 0.810 0.00 0.00 +0.118 A ATOM 28 N LIG 1 -6.019 1.330 0.855 0.00 0.00 -0.257 N ATOM 29 N LIG 1 -5.622 2.570 0.505 0.00 0.00 -0.178 NA ATOM 30 C LIG 1 -4.336 2.413 0.177 0.00 0.00 +0.143 A BRANCH 28 31 ATOM 31 C LIG 1 -7.388 1.105 1.293 0.00 0.00 +0.261 C BRANCH 31 32 ATOM 32 C LIG 1 -8.130 0.266 0.352 0.00 0.00 +0.086 C ATOM 33 N LIG 1 -8.730 -0.422 -0.365 0.00 0.00 -0.195 NA ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 26 BRANCH 6 34 ATOM 34 C LIG 1 -1.478 1.990 1.845 0.00 0.00 +0.372 C ATOM 35 F LIG 1 -0.346 2.057 2.607 0.00 0.00 -0.204 F ATOM 36 F LIG 1 -1.599 3.219 1.271 0.00 0.00 -0.204 F ENDBRANCH 6 34 TORSDOF 6