REMARK Name = BDB035316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.151 0.333 -1.091 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.382 -0.925 -1.672 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -2.637 -1.322 -2.174 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.684 -0.392 -2.070 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.517 0.869 -1.478 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.240 1.216 -1.005 0.00 0.00 +0.034 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 4.316 0.654 1.208 0.00 0.00 +0.033 A ATOM 8 N LIG 1 3.345 -0.290 0.927 0.00 0.00 -0.351 N ATOM 9 H LIG 1 3.447 -1.286 1.086 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 2.261 0.327 0.367 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.539 1.658 0.302 0.00 0.00 +0.096 A ATOM 12 N LIG 1 1.652 2.589 -0.217 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 0.540 2.054 -0.632 0.00 0.00 +0.207 A ATOM 14 N LIG 1 0.150 0.711 -0.600 0.00 0.00 -0.266 N ATOM 15 C LIG 1 1.032 -0.252 -0.075 0.00 0.00 +0.282 A ATOM 16 O LIG 1 0.810 -1.451 0.057 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.820 1.891 0.820 0.00 0.00 +0.052 A BRANCH 7 18 ATOM 18 C LIG 1 5.612 0.271 1.834 0.00 0.00 +0.134 C BRANCH 18 19 ATOM 19 N LIG 1 6.149 -0.893 1.138 0.00 0.00 -0.310 NA ATOM 20 H LIG 1 6.349 -0.631 0.174 0.00 0.00 +0.122 HD BRANCH 19 21 ATOM 21 C LIG 1 7.354 -1.430 1.773 0.00 0.00 +0.084 C BRANCH 21 23 ATOM 22 C LIG 1 9.020 -0.193 0.281 0.00 0.00 +0.008 C ATOM 23 C LIG 1 8.608 -0.532 1.715 0.00 0.00 -0.003 C ATOM 24 C LIG 1 9.769 -1.226 2.434 0.00 0.00 +0.008 C ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 -4.652 1.804 -1.348 0.00 0.00 -0.006 A ATOM 26 C LIG 1 -5.862 1.471 -0.697 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -6.939 2.366 -0.656 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -6.804 3.618 -1.236 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -7.825 4.482 -1.189 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.623 3.989 -1.865 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.557 3.088 -1.925 0.00 0.00 +0.012 A BRANCH 26 32 ATOM 32 C LIG 1 -6.079 0.160 -0.046 0.00 0.00 +0.248 C ATOM 33 N LIG 1 -5.274 -0.150 1.019 0.00 0.00 -0.286 N ATOM 34 C LIG 1 -5.468 -1.234 1.972 0.00 0.00 +0.185 C ATOM 35 C LIG 1 -4.966 -0.282 3.070 0.00 0.00 +0.280 C ATOM 36 F LIG 1 -5.912 0.175 3.927 0.00 0.00 -0.202 F ATOM 37 F LIG 1 -3.950 -0.747 3.836 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -4.561 0.701 1.956 0.00 0.00 +0.185 C ATOM 39 O LIG 1 -6.965 -0.574 -0.470 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 40 ATOM 40 C LIG 1 -2.802 -2.702 -2.787 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -4.087 -3.479 -2.628 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -3.706 -2.931 -3.974 0.00 0.00 +0.009 C ENDBRANCH 3 40 TORSDOF 8