REMARK Name = BDB064365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.375 -0.154 0.144 0.00 0.00 +0.008 A ATOM 2 C LIG 1 -0.992 -0.327 -0.065 0.00 0.00 +0.048 A ATOM 3 N LIG 1 -0.466 -1.488 -0.667 0.00 0.00 -0.327 N ATOM 4 H LIG 1 -1.063 -2.299 -0.538 0.00 0.00 +0.148 HD ATOM 5 C LIG 1 0.912 -1.751 -0.313 0.00 0.00 +0.214 C ATOM 6 N LIG 1 1.715 -0.597 -0.622 0.00 0.00 -0.273 N ATOM 7 C LIG 1 1.300 0.626 -0.108 0.00 0.00 +0.250 C ATOM 8 O LIG 1 2.038 1.588 0.091 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.146 0.758 0.201 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -0.643 1.966 0.712 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.013 2.126 0.948 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -2.872 1.059 0.654 0.00 0.00 +0.016 A ENDROOT BRANCH 1 16 ATOM 13 N LIG 1 -4.519 -3.027 0.035 0.00 0.00 -0.271 N ATOM 14 N LIG 1 -4.955 -2.482 -1.114 0.00 0.00 -0.167 NA ATOM 15 C LIG 1 -4.231 -1.349 -1.249 0.00 0.00 +0.173 A ATOM 16 C LIG 1 -3.327 -1.204 -0.158 0.00 0.00 +0.033 A ATOM 17 C LIG 1 -3.548 -2.296 0.651 0.00 0.00 +0.117 A BRANCH 15 18 ATOM 18 C LIG 1 -4.400 -0.393 -2.400 0.00 0.00 +0.437 C ATOM 19 F LIG 1 -5.354 -0.778 -3.290 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -4.761 0.848 -1.965 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -3.250 -0.236 -3.109 0.00 0.00 -0.164 F ENDBRANCH 15 18 BRANCH 13 23 ATOM 22 C LIG 1 -4.439 -5.483 -0.135 0.00 0.00 +0.029 C ATOM 23 C LIG 1 -5.096 -4.273 0.504 0.00 0.00 +0.140 C ENDBRANCH 13 23 ENDBRANCH 1 16 BRANCH 6 24 ATOM 24 C LIG 1 3.140 -0.863 -0.851 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 3.929 -1.056 0.442 0.00 0.00 +0.065 A ATOM 26 N LIG 1 3.956 -2.328 0.933 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 4.626 -2.539 2.085 0.00 0.00 +0.114 A ATOM 28 C LIG 1 5.259 -1.541 2.799 0.00 0.00 +0.065 A ATOM 29 C LIG 1 5.204 -0.241 2.311 0.00 0.00 +0.123 A ATOM 30 C LIG 1 4.532 0.006 1.117 0.00 0.00 +0.070 A BRANCH 29 31 ATOM 31 O LIG 1 5.839 0.691 3.085 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 5.750 2.046 2.659 0.00 0.00 +0.277 C ENDBRANCH 29 31 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.765 0.113 -1.829 0.00 0.00 +0.016 C ATOM 34 C LIG 1 3.509 -0.034 -3.311 0.00 0.00 +0.006 C ATOM 35 C LIG 1 4.875 -0.325 -2.756 0.00 0.00 +0.006 C ENDBRANCH 24 33 ENDBRANCH 6 24 BRANCH 11 36 ATOM 36 C LIG 1 -2.556 3.433 1.467 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 N LIG 1 -2.664 4.424 0.413 0.00 0.00 -0.332 N ATOM 38 C LIG 1 -3.682 4.522 -0.493 0.00 0.00 +0.199 A ATOM 39 N LIG 1 -3.524 5.564 -1.279 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 -2.355 6.152 -0.872 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -1.806 5.465 0.186 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 9