REMARK Name = BDB027316 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.118 -0.512 -0.537 0.00 0.00 +0.109 A ATOM 2 C LIG 1 2.365 0.568 -0.995 0.00 0.00 +0.156 A ATOM 3 F LIG 1 2.967 1.725 -1.318 0.00 0.00 -0.203 F ATOM 4 C LIG 1 0.971 0.469 -1.089 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.358 -0.737 -0.701 0.00 0.00 +0.056 A ATOM 6 C LIG 1 1.205 -1.774 -0.281 0.00 0.00 +0.135 A ATOM 7 N LIG 1 2.552 -1.689 -0.182 0.00 0.00 -0.250 NA ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 7.363 -0.393 0.034 0.00 0.00 +0.123 A ATOM 9 C LIG 1 6.831 -0.881 -1.160 0.00 0.00 +0.084 A ATOM 10 C LIG 1 5.446 -0.901 -1.341 0.00 0.00 +0.136 A ATOM 11 F LIG 1 4.966 -1.372 -2.502 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.564 -0.440 -0.354 0.00 0.00 +0.039 A ATOM 13 C LIG 1 5.112 0.063 0.837 0.00 0.00 +0.016 A ATOM 14 C LIG 1 6.498 0.090 1.024 0.00 0.00 +0.046 A BRANCH 8 16 ATOM 15 C LIG 1 9.606 -0.918 -0.561 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.692 -0.316 0.347 0.00 0.00 -0.495 OA ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 N LIG 1 -1.047 -0.849 -0.716 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -1.607 -1.063 0.650 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.143 -1.421 0.625 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.763 -1.001 -0.719 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.024 -1.558 -1.943 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.542 -1.834 -1.687 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.295 -2.909 0.740 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.893 -3.167 1.651 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.292 -3.128 0.862 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -3.821 -0.717 1.845 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.354 -0.719 1.830 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.800 -0.238 3.024 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.830 -1.988 1.733 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.329 -1.347 3.054 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.891 -1.017 3.785 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 5 17 BRANCH 4 32 ATOM 32 C LIG 1 0.186 1.642 -1.624 0.00 0.00 +0.164 C BRANCH 32 33 ATOM 33 N LIG 1 -0.730 2.216 -0.652 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -2.043 2.534 -0.881 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -2.524 2.947 0.352 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -3.893 3.250 0.429 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -4.641 3.161 -0.694 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -4.032 2.777 -1.840 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -1.517 2.963 1.297 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.742 2.430 -2.026 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -0.446 2.562 0.642 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -4.525 3.613 1.610 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -3.893 3.954 2.325 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -5.375 4.141 1.452 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 10