REMARK Name = BDB035500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.851 1.389 -0.488 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.191 0.194 -0.187 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.568 -0.806 0.395 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.175 0.312 -0.711 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.201 -0.614 -0.662 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.429 -0.263 -1.238 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.581 1.014 -1.834 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.525 1.944 -1.876 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.317 1.562 -1.299 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.035 2.320 -1.177 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.399 1.120 0.754 0.00 0.00 -0.001 A ATOM 12 C LIG 1 -3.063 0.794 0.435 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.200 1.715 -0.177 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.712 2.986 -0.479 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.030 3.330 -0.168 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.867 2.405 0.448 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.334 0.115 1.435 0.00 0.00 +0.202 C ATOM 18 F LIG 1 -6.604 0.627 1.534 0.00 0.00 -0.228 F BRANCH 17 21 ATOM 19 C LIG 1 -6.776 -0.358 -1.289 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -6.075 -1.349 -0.519 0.00 0.00 -0.318 N ATOM 21 C LIG 1 -5.422 -1.183 0.678 0.00 0.00 +0.175 A ATOM 22 N LIG 1 -4.927 -2.352 1.042 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 -5.251 -3.279 0.083 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -5.937 -2.662 -0.849 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 -4.840 -0.116 2.860 0.00 0.00 +0.090 C ATOM 26 C LIG 1 -5.019 1.043 3.847 0.00 0.00 +0.169 C ATOM 27 O LIG 1 -5.656 0.171 4.812 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -5.794 -0.861 3.802 0.00 0.00 +0.169 C ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.690 3.302 -2.501 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.525 4.307 -1.597 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.905 3.505 -3.077 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.767 3.532 -3.477 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.597 -1.225 -1.202 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.622 -0.742 -0.274 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.168 -0.525 0.614 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.749 -1.682 -0.151 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.339 -2.898 0.726 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.638 -2.679 1.530 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.610 -1.208 1.060 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.526 -1.924 -1.433 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8