REMARK Name = BDB026153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.241 -0.938 -0.296 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.648 0.154 -0.155 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.015 -0.062 0.053 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.541 -1.365 0.139 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.638 -2.432 0.003 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.072 -3.698 0.092 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.274 -2.232 -0.209 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.977 -1.590 0.363 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.714 -2.562 -0.283 0.00 0.00 +0.124 A ATOM 10 N LIG 1 6.036 -2.782 -0.097 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.684 -2.003 0.782 0.00 0.00 +0.218 A ATOM 12 N LIG 1 6.059 -1.033 1.469 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.738 -0.850 1.245 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 8.027 -2.223 1.014 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.745 -1.194 1.769 0.00 0.00 +0.136 C ATOM 16 C LIG 1 10.226 -1.584 1.888 0.00 0.00 +0.179 C ATOM 17 O LIG 1 10.889 -1.728 0.622 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 10.006 -2.113 -0.444 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.806 -2.959 0.015 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -3.844 -1.209 0.230 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.422 -0.858 0.733 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -1.610 -0.663 -0.489 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.264 -1.346 -1.620 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.528 -1.985 -1.053 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.784 -0.064 0.129 0.00 0.00 -0.301 NA ATOM 26 C LIG 1 -4.354 1.003 -0.772 0.00 0.00 +0.105 C BRANCH 25 27 ATOM 27 C LIG 1 -6.152 -0.527 -0.188 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -7.227 0.488 0.229 0.00 0.00 +0.043 C BRANCH 28 29 ATOM 29 C LIG 1 -8.637 -0.024 -0.068 0.00 0.00 +0.160 C BRANCH 29 31 ATOM 30 C LIG 1 -9.198 -1.179 1.933 0.00 0.00 +0.193 C ATOM 31 O LIG 1 -8.912 -1.282 0.544 0.00 0.00 -0.383 OA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 32 ATOM 32 N LIG 1 0.053 1.428 -0.258 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -0.947 1.356 -0.445 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 0.640 2.658 -0.111 0.00 0.00 +0.250 C ATOM 35 O LIG 1 1.806 2.894 0.180 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -0.328 3.783 -0.275 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -1.062 4.068 -1.504 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -1.900 5.124 -1.540 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -2.083 5.989 -0.348 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -2.857 6.936 -0.367 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -1.335 5.651 0.751 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -1.443 6.252 1.561 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -0.473 4.584 0.793 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -0.840 3.204 -2.707 0.00 0.00 +0.418 C ATOM 45 F LIG 1 0.472 3.010 -2.979 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -1.410 1.984 -2.543 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -1.395 3.732 -3.830 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 11