REMARK Name = BDB058990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.047 0.074 -0.406 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.084 -1.320 -0.373 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.148 -1.920 0.317 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.076 -1.099 0.978 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.964 0.300 0.945 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.897 0.878 0.240 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.293 -3.381 0.343 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.888 -4.097 -0.723 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.410 -3.396 -1.950 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.986 -5.496 -0.644 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.512 -6.170 0.476 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -1.614 -7.503 0.534 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -0.933 -5.482 1.531 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -0.824 -4.093 1.464 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.356 0.044 -1.163 0.00 0.00 -0.307 N ATOM 16 H LIG 1 2.482 -0.726 -0.521 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.160 0.730 -1.144 0.00 0.00 +0.244 C ATOM 18 O LIG 1 0.996 1.826 -1.666 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.554 0.640 -1.709 0.00 0.00 +0.139 C BRANCH 19 26 ATOM 20 C LIG 1 7.434 0.242 1.506 0.00 0.00 +0.047 C ATOM 21 C LIG 1 6.290 1.023 0.937 0.00 0.00 -0.015 A ATOM 22 C LIG 1 5.951 2.269 1.468 0.00 0.00 +0.126 A ATOM 23 F LIG 1 6.672 2.784 2.475 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.872 2.996 0.976 0.00 0.00 +0.039 A ATOM 25 C LIG 1 4.104 2.471 -0.062 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.413 1.217 -0.611 0.00 0.00 -0.030 A ATOM 27 C LIG 1 5.502 0.494 -0.096 0.00 0.00 +0.011 A ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 28 ATOM 28 C LIG 1 -2.988 1.175 1.637 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 N LIG 1 -3.846 1.837 0.678 0.00 0.00 -0.313 N ATOM 30 C LIG 1 -3.676 3.167 0.286 0.00 0.00 +0.204 A ATOM 31 N LIG 1 -2.818 4.000 0.755 0.00 0.00 -0.268 NA ATOM 32 H LIG 1 -2.924 4.893 0.273 0.00 0.00 +0.190 HD ATOM 33 N LIG 1 -4.635 3.356 -0.715 0.00 0.00 -0.320 N ATOM 34 C LIG 1 -4.737 4.532 -1.544 0.00 0.00 +0.152 C ATOM 35 C LIG 1 -5.314 2.164 -0.937 0.00 0.00 +0.106 A ATOM 36 C LIG 1 -4.840 1.243 -0.087 0.00 0.00 +0.107 A ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 6