REMARK Name = BDB035277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.864 -1.501 -0.126 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -2.373 -2.052 0.995 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.711 -2.185 1.158 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.592 -1.745 0.177 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.104 -1.151 -0.987 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.715 -1.050 -1.134 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.999 -1.184 0.953 0.00 0.00 +0.031 A ATOM 8 N LIG 1 2.778 -1.238 1.588 0.00 0.00 -0.353 N ATOM 9 H LIG 1 2.618 -1.230 2.588 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.778 -1.291 0.654 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.363 -1.266 -0.589 0.00 0.00 +0.010 A ATOM 12 C LIG 1 1.517 -1.305 -1.738 0.00 0.00 -0.018 A ATOM 13 C LIG 1 0.181 -1.387 -1.540 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.436 -1.403 -0.272 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.356 -1.345 0.915 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.045 -1.288 2.074 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.760 -1.210 -0.413 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 2.165 -1.324 -3.064 0.00 0.00 +0.021 C ATOM 19 C LIG 1 2.910 -0.102 -3.546 0.00 0.00 +0.009 C ATOM 20 C LIG 1 1.613 -0.484 -4.193 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 5.283 -1.113 1.715 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 8.815 0.923 0.057 0.00 0.00 +0.009 C ATOM 23 C LIG 1 8.199 1.267 1.416 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.366 0.095 1.976 0.00 0.00 +0.088 C ATOM 25 N LIG 1 6.004 0.134 1.442 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 5.271 1.320 1.922 0.00 0.00 +0.085 C ATOM 27 C LIG 1 6.171 2.526 2.233 0.00 0.00 +0.016 C ATOM 28 C LIG 1 7.377 2.566 1.306 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -5.016 -0.628 -2.021 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -5.976 0.376 -1.761 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -6.859 0.824 -2.751 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.766 0.289 -4.026 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -7.596 0.719 -4.984 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -5.822 -0.686 -4.326 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -4.955 -1.145 -3.330 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -6.116 0.979 -0.421 0.00 0.00 +0.247 C ATOM 37 N LIG 1 -5.194 1.936 -0.032 0.00 0.00 -0.293 N ATOM 38 C LIG 1 -5.224 2.429 1.346 0.00 0.00 +0.136 C ATOM 39 C LIG 1 -3.839 2.914 1.782 0.00 0.00 +0.179 C ATOM 40 O LIG 1 -3.307 3.958 0.950 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -3.796 3.938 -0.398 0.00 0.00 +0.179 C ATOM 42 C LIG 1 -4.170 2.537 -0.892 0.00 0.00 +0.136 C ATOM 43 O LIG 1 -7.044 0.588 0.282 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 44 ATOM 44 C LIG 1 -4.230 -2.804 2.434 0.00 0.00 +0.038 C ATOM 45 C LIG 1 -4.814 -4.199 2.408 0.00 0.00 +0.010 C ATOM 46 C LIG 1 -3.493 -3.957 3.075 0.00 0.00 +0.010 C ENDBRANCH 3 44 TORSDOF 7