REMARK Name = BDB034625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.248 -0.363 0.906 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.990 -0.771 0.363 0.00 0.00 -0.292 N ATOM 3 O LIG 1 0.386 0.738 1.453 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.172 0.031 0.753 0.00 0.00 +0.091 C ATOM 5 C LIG 1 -3.229 0.216 -0.341 0.00 0.00 +0.037 C ATOM 6 C LIG 1 -4.330 1.185 0.136 0.00 0.00 +0.091 C ATOM 7 C LIG 1 -4.608 1.065 1.646 0.00 0.00 +0.093 C ATOM 8 N LIG 1 -4.260 -0.244 2.202 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 -4.791 -0.964 1.706 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.824 -0.532 2.046 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 -5.617 1.016 -0.665 0.00 0.00 +0.220 C ATOM 12 N LIG 1 -6.493 2.060 -0.615 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -6.480 3.382 -0.032 0.00 0.00 +0.146 C ATOM 14 C LIG 1 -7.652 3.720 -0.973 0.00 0.00 +0.200 C ATOM 15 F LIG 1 -8.718 4.327 -0.400 0.00 0.00 -0.242 F ATOM 16 C LIG 1 -7.790 2.213 -1.245 0.00 0.00 +0.146 C ATOM 17 O LIG 1 -5.869 -0.003 -1.307 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 18 C LIG 1 2.703 -0.642 0.470 0.00 0.00 +0.059 A ATOM 19 C LIG 1 1.471 -1.225 0.823 0.00 0.00 +0.146 A ATOM 20 N LIG 1 1.323 -2.524 1.199 0.00 0.00 -0.248 NA ATOM 21 C LIG 1 2.432 -3.296 1.153 0.00 0.00 +0.115 A ATOM 22 C LIG 1 3.696 -2.866 0.752 0.00 0.00 -0.024 A ATOM 23 C LIG 1 3.803 -1.508 0.410 0.00 0.00 +0.030 A BRANCH 22 24 ATOM 24 C LIG 1 4.885 -3.792 0.722 0.00 0.00 +0.021 C ATOM 25 C LIG 1 4.837 -5.060 -0.099 0.00 0.00 +0.009 C ATOM 26 C LIG 1 5.711 -3.924 -0.537 0.00 0.00 +0.009 C ENDBRANCH 22 24 BRANCH 18 27 ATOM 27 N LIG 1 2.815 0.721 0.079 0.00 0.00 -0.339 N ATOM 28 H LIG 1 2.055 1.259 0.521 0.00 0.00 +0.146 HD BRANCH 27 31 ATOM 29 C LIG 1 4.919 3.269 0.675 0.00 0.00 +0.121 C ATOM 30 C LIG 1 4.630 1.889 1.312 0.00 0.00 +0.054 C ATOM 31 C LIG 1 4.036 1.458 -0.045 0.00 0.00 +0.075 C ATOM 32 C LIG 1 3.800 2.953 -0.346 0.00 0.00 +0.054 C BRANCH 29 34 ATOM 33 C LIG 1 7.265 3.787 1.027 0.00 0.00 +0.194 C ATOM 34 O LIG 1 6.236 3.450 0.107 0.00 0.00 -0.380 OA ENDBRANCH 29 34 ENDBRANCH 27 31 ENDBRANCH 18 27 ENDBRANCH 1 19 BRANCH 2 35 ATOM 35 C LIG 1 -1.202 -2.019 -0.394 0.00 0.00 +0.111 C BRANCH 35 36 ATOM 36 C LIG 1 -1.088 -1.861 -1.925 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -1.500 -3.170 -2.606 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.315 -1.465 -2.381 0.00 0.00 +0.009 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 9