REMARK Name = BDB019906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.733 0.137 -0.611 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.359 0.162 -0.865 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.299 -1.003 -1.276 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.410 -2.201 -1.404 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.789 -2.245 -1.142 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.442 -1.065 -0.749 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -3.602 2.754 0.981 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -3.247 3.474 -0.098 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.514 2.623 -0.847 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.417 1.349 -0.211 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -3.139 1.472 0.956 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -1.918 3.009 -2.174 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -2.261 4.257 -2.589 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.296 2.156 -3.166 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -0.555 2.974 -2.146 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -3.565 4.143 3.015 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -4.408 3.365 2.021 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.760 -1.001 -1.544 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.256 0.128 -2.156 0.00 0.00 -0.307 N ATOM 20 H LIG 1 1.639 0.888 -2.407 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.442 -1.968 -1.228 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.672 0.325 -2.359 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 4.226 1.255 -1.309 0.00 0.00 -0.030 A ATOM 24 C LIG 1 4.572 0.755 -0.042 0.00 0.00 +0.011 A ATOM 25 C LIG 1 5.068 1.605 0.956 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.409 1.074 2.314 0.00 0.00 +0.047 C ATOM 27 C LIG 1 5.180 2.968 0.677 0.00 0.00 +0.126 A ATOM 28 F LIG 1 5.625 3.809 1.622 0.00 0.00 -0.205 F ATOM 29 C LIG 1 4.834 3.482 -0.569 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.356 2.628 -1.562 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -2.560 -3.539 -1.286 0.00 0.00 +0.144 C BRANCH 31 32 ATOM 32 N LIG 1 -2.148 -4.536 -0.326 0.00 0.00 -0.278 N ATOM 33 C LIG 1 -1.236 -5.505 -0.588 0.00 0.00 +0.278 C ATOM 34 N LIG 1 -0.727 -5.865 -1.703 0.00 0.00 -0.253 NA ATOM 35 H LIG 1 -0.071 -6.623 -1.482 0.00 0.00 +0.191 HD ATOM 36 O LIG 1 -0.851 -6.133 0.553 0.00 0.00 -0.464 OA ATOM 37 C LIG 1 -1.652 -5.607 1.626 0.00 0.00 +0.251 C ATOM 38 C LIG 1 -2.257 -4.317 1.091 0.00 0.00 +0.151 C ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8