REMARK Name = BDB001161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.329 -0.385 -0.241 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.307 -0.520 -1.156 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.045 -0.059 -0.834 0.00 0.00 +0.099 C ATOM 4 C LIG 1 -1.843 -0.202 -2.140 0.00 0.00 +0.013 C ATOM 5 C LIG 1 -2.656 -1.495 -2.011 0.00 0.00 +0.007 C ATOM 6 C LIG 1 -2.247 -2.130 -0.685 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.772 -0.228 -3.226 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -1.776 -0.958 0.185 0.00 0.00 +0.095 C ATOM 9 C LIG 1 0.430 -0.878 -2.560 0.00 0.00 +0.108 C ATOM 10 O LIG 1 1.137 0.179 0.844 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -2.891 -0.249 0.810 0.00 0.00 -0.294 N ATOM 12 H LIG 1 -2.723 0.730 1.007 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 -3.620 -0.834 1.823 0.00 0.00 +0.307 C ATOM 14 N LIG 1 -4.555 0.010 2.435 0.00 0.00 -0.259 N ATOM 15 C LIG 1 -5.042 -0.400 3.749 0.00 0.00 +0.140 C ATOM 16 O LIG 1 -3.399 -1.984 2.195 0.00 0.00 -0.252 OA BRANCH 14 17 ATOM 17 C LIG 1 -5.131 1.188 1.853 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -5.612 2.227 2.668 0.00 0.00 +0.026 A ATOM 19 C LIG 1 -6.188 3.373 2.111 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -6.302 3.483 0.733 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -6.855 4.580 0.199 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -5.857 2.466 -0.098 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -5.280 1.321 0.461 0.00 0.00 +0.026 A ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 2.721 -0.982 -0.574 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 4.078 1.044 -0.945 0.00 0.00 +0.230 C ATOM 26 N LIG 1 3.685 0.018 -0.106 0.00 0.00 -0.302 N ATOM 27 H LIG 1 3.614 0.255 0.877 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 3.789 1.079 -2.140 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 4.867 2.172 -0.238 0.00 0.00 +0.137 C ATOM 30 C LIG 1 3.862 3.239 0.195 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 6.678 3.776 -0.653 0.00 0.00 +0.101 C ATOM 32 N LIG 1 5.914 2.650 -1.158 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 5.479 2.882 -2.054 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 2.965 -2.381 0.077 0.00 0.00 -0.011 C ATOM 35 C LIG 1 2.837 -2.362 1.612 0.00 0.00 +0.013 C ATOM 36 C LIG 1 4.386 -2.867 -0.283 0.00 0.00 +0.013 C ATOM 37 C LIG 1 1.965 -3.413 -0.478 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7