REMARK Name = BDB003339 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.913 1.549 -0.890 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.629 0.986 -0.703 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.514 1.543 -1.307 0.00 0.00 -0.025 A ATOM 4 C LIG 1 1.776 0.947 -1.137 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.940 -0.202 -0.353 0.00 0.00 -0.006 A ATOM 6 C LIG 1 0.822 -0.764 0.279 0.00 0.00 +0.027 A ATOM 7 C LIG 1 0.411 2.761 -2.187 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.860 3.537 -1.898 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.442 -0.170 0.077 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -2.050 2.587 -1.922 0.00 0.00 +0.113 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.022 0.865 1.953 0.00 0.00 +0.128 A ATOM 12 N LIG 1 -2.930 1.130 1.198 0.00 0.00 -0.225 NA ATOM 13 C LIG 1 -3.092 1.264 -0.148 0.00 0.00 +0.153 A ATOM 14 C LIG 1 -4.358 1.123 -0.788 0.00 0.00 +0.111 A ATOM 15 C LIG 1 -5.459 0.846 0.054 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -6.731 0.691 -0.513 0.00 0.00 +0.011 A ATOM 17 C LIG 1 -6.900 0.799 -1.885 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.785 1.062 -2.649 0.00 0.00 +0.111 A ATOM 19 N LIG 1 -4.546 1.223 -2.135 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 -5.292 0.720 1.434 0.00 0.00 +0.043 A BRANCH 11 24 ATOM 21 C LIG 1 -2.006 0.672 5.144 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -2.472 0.893 3.802 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.806 1.026 3.043 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -3.786 0.718 3.424 0.00 0.00 +0.262 C ATOM 25 O LIG 1 -4.703 0.456 4.193 0.00 0.00 -0.269 OA ENDBRANCH 11 24 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 3.272 -0.758 -0.227 0.00 0.00 +0.020 A ATOM 27 C LIG 1 3.636 -2.026 -0.626 0.00 0.00 +0.117 A ATOM 28 N LIG 1 4.975 -2.139 -0.369 0.00 0.00 -0.265 N ATOM 29 N LIG 1 5.509 -1.018 0.159 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 4.474 -0.177 0.230 0.00 0.00 +0.142 A BRANCH 28 31 ATOM 31 C LIG 1 5.745 -3.367 -0.667 0.00 0.00 +0.135 C ATOM 32 C LIG 1 6.786 -3.724 0.401 0.00 0.00 +0.109 C ATOM 33 N LIG 1 7.834 -3.069 -0.409 0.00 0.00 -0.312 NA ATOM 34 H LIG 1 7.998 -2.105 -0.098 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 6.945 -3.116 -1.589 0.00 0.00 +0.109 C ENDBRANCH 28 31 ENDBRANCH 5 26 BRANCH 6 36 ATOM 36 C LIG 1 0.919 -1.986 1.157 0.00 0.00 +0.372 C ATOM 37 F LIG 1 1.019 -3.141 0.439 0.00 0.00 -0.204 F ATOM 38 F LIG 1 -0.168 -2.157 1.966 0.00 0.00 -0.204 F ENDBRANCH 6 36 TORSDOF 5