REMARK Name = BDB008008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.104 -2.368 -2.323 0.00 0.00 +0.075 A ATOM 2 C LIG 1 1.374 -2.149 -3.673 0.00 0.00 +0.136 A ATOM 3 F LIG 1 0.429 -2.350 -4.603 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.632 -1.709 -4.081 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.630 -1.492 -3.129 0.00 0.00 +0.049 A ATOM 6 C LIG 1 3.346 -1.717 -1.781 0.00 0.00 +0.131 A ATOM 7 C LIG 1 2.100 -2.180 -1.363 0.00 0.00 +0.062 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.271 -4.005 -1.456 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.212 -2.858 -1.891 0.00 0.00 +0.250 C ATOM 10 N LIG 1 -1.297 -1.990 -1.942 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -1.202 -0.566 -2.296 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.545 0.174 -2.211 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -3.234 -0.086 -0.942 0.00 0.00 -0.298 N ATOM 14 C LIG 1 -3.977 0.935 -0.367 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -4.106 2.026 -0.923 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -3.240 -1.485 -0.483 0.00 0.00 +0.127 C ATOM 17 C LIG 1 -2.605 -2.460 -1.487 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 -4.569 0.699 1.031 0.00 0.00 +0.076 C ATOM 19 C LIG 1 -5.764 1.628 1.320 0.00 0.00 +0.018 C ATOM 20 C LIG 1 -5.380 3.065 1.674 0.00 0.00 +0.076 C ATOM 21 C LIG 1 -4.309 3.115 2.745 0.00 0.00 +0.249 C ATOM 22 F LIG 1 -3.934 4.399 2.961 0.00 0.00 -0.206 F ATOM 23 F LIG 1 -4.832 2.664 3.917 0.00 0.00 -0.206 F ATOM 24 C LIG 1 -3.093 2.279 2.394 0.00 0.00 +0.076 C ATOM 25 C LIG 1 -3.478 0.828 2.106 0.00 0.00 +0.018 C ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 O LIG 1 4.369 -1.532 -0.844 0.00 0.00 -0.436 OA BRANCH 26 27 ATOM 27 C LIG 1 4.283 -0.373 -0.092 0.00 0.00 +0.246 A ATOM 28 C LIG 1 5.373 -0.309 0.894 0.00 0.00 +0.051 A ATOM 29 C LIG 1 5.400 0.818 1.713 0.00 0.00 +0.053 A ATOM 30 C LIG 1 6.401 0.965 2.680 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.374 -0.025 2.824 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.348 -1.156 2.007 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.362 1.853 1.547 0.00 0.00 +0.273 A ATOM 34 O LIG 1 4.348 2.859 2.245 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 3.419 1.621 0.571 0.00 0.00 -0.239 N ATOM 36 H LIG 1 2.703 2.329 0.438 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 6.349 -1.302 1.040 0.00 0.00 +0.014 A ATOM 38 N LIG 1 3.365 0.530 -0.248 0.00 0.00 -0.132 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4