REMARK Name = BDB062735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.164 0.325 -0.556 0.00 0.00 -0.010 A ATOM 2 C LIG 1 0.899 -0.284 -0.638 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.665 -1.728 -0.276 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -0.764 -1.923 0.217 0.00 0.00 +0.113 C ATOM 5 N LIG 1 -1.732 -1.417 -0.749 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -1.540 -0.140 -1.278 0.00 0.00 +0.247 C ATOM 7 O LIG 1 -2.423 0.494 -1.850 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.183 0.467 -1.131 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -0.007 1.806 -1.511 0.00 0.00 +0.018 A ATOM 10 C LIG 1 1.248 2.419 -1.416 0.00 0.00 -0.026 A ATOM 11 C LIG 1 2.328 1.665 -0.940 0.00 0.00 +0.014 A ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 4.858 -1.200 1.245 0.00 0.00 -0.271 N ATOM 13 N LIG 1 5.258 -1.603 0.024 0.00 0.00 -0.167 NA ATOM 14 C LIG 1 4.330 -1.103 -0.818 0.00 0.00 +0.173 A ATOM 15 C LIG 1 3.331 -0.394 -0.094 0.00 0.00 +0.032 A ATOM 16 C LIG 1 3.707 -0.472 1.227 0.00 0.00 +0.117 A BRANCH 14 17 ATOM 17 C LIG 1 4.384 -1.283 -2.310 0.00 0.00 +0.437 C ATOM 18 F LIG 1 4.494 -0.087 -2.956 0.00 0.00 -0.164 F ATOM 19 F LIG 1 3.253 -1.874 -2.789 0.00 0.00 -0.164 F ATOM 20 F LIG 1 5.427 -2.046 -2.733 0.00 0.00 -0.164 F ENDBRANCH 14 17 BRANCH 12 22 ATOM 21 C LIG 1 6.821 -0.633 2.624 0.00 0.00 +0.029 C ATOM 22 C LIG 1 5.638 -1.562 2.414 0.00 0.00 +0.140 C ENDBRANCH 12 22 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 C LIG 1 -3.112 -1.929 -0.712 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 -3.858 -1.482 0.550 0.00 0.00 +0.065 A ATOM 25 N LIG 1 -3.611 -2.134 1.719 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 -4.252 -1.696 2.822 0.00 0.00 +0.114 A ATOM 27 C LIG 1 -5.121 -0.622 2.830 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -5.348 0.058 1.639 0.00 0.00 +0.123 A ATOM 29 C LIG 1 -4.709 -0.377 0.482 0.00 0.00 +0.070 A BRANCH 28 30 ATOM 30 O LIG 1 -6.206 1.117 1.737 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 -6.396 1.897 0.562 0.00 0.00 +0.277 C ENDBRANCH 28 30 ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 -3.148 -3.436 -0.875 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -2.715 -4.068 -2.179 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -4.164 -4.090 -1.783 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 5 23 BRANCH 10 35 ATOM 35 C LIG 1 1.426 3.865 -1.800 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 N LIG 1 1.544 4.710 -0.626 0.00 0.00 -0.332 N ATOM 37 C LIG 1 2.704 5.245 -0.139 0.00 0.00 +0.199 A ATOM 38 N LIG 1 2.484 5.973 0.932 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 1.128 5.916 1.136 0.00 0.00 +0.130 A ATOM 40 C LIG 1 0.522 5.142 0.174 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 9