REMARK Name = BDB035474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.887 0.212 -0.246 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.559 -0.193 -0.419 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.490 0.411 -0.279 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.590 -1.591 -0.860 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.470 -2.434 -1.132 0.00 0.00 +0.018 A ATOM 6 C LIG 1 0.187 -3.748 -1.534 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -1.161 -4.174 -1.625 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.232 -3.304 -1.331 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.913 -1.999 -0.958 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -2.812 -0.861 -0.591 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -1.824 3.769 1.039 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -1.428 2.481 0.606 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.332 1.489 0.194 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.697 1.799 0.233 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.134 3.054 0.655 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.210 4.021 1.049 0.00 0.00 +0.007 A BRANCH 11 20 ATOM 17 C LIG 1 1.818 5.440 3.412 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.641 4.576 3.017 0.00 0.00 +0.120 C ATOM 19 O LIG 1 0.619 4.352 1.590 0.00 0.00 -0.358 OA ATOM 20 C LIG 1 -0.745 4.879 1.484 0.00 0.00 +0.156 C ATOM 21 C LIG 1 -0.726 5.258 2.990 0.00 0.00 +0.079 C BRANCH 20 22 ATOM 22 C LIG 1 -0.831 6.131 0.521 0.00 0.00 +0.170 A ATOM 23 N LIG 1 -0.541 6.146 -0.815 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -0.112 5.043 -1.632 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -0.745 7.428 -1.228 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -1.133 8.163 -0.210 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -1.180 7.349 0.898 0.00 0.00 -0.131 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.667 -3.757 -1.379 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.398 -3.041 -2.276 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.825 -5.067 -1.714 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.292 -3.592 -0.179 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 1.332 -4.701 -1.794 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 1.711 -5.369 -0.553 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 1.095 -6.159 -0.368 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 3.149 -5.642 -0.449 0.00 0.00 +0.017 C ATOM 36 C LIG 1 3.394 -6.223 0.973 0.00 0.00 +0.022 C ATOM 37 C LIG 1 4.513 -5.180 1.156 0.00 0.00 +0.004 C ATOM 38 C LIG 1 3.858 -4.346 0.037 0.00 0.00 +0.022 C ATOM 39 C LIG 1 3.749 -6.448 -1.581 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7