REMARK Name = BDB027465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 -0.640 0.927 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.093 -1.134 -0.102 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.393 -2.434 -0.538 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.361 -3.245 -0.047 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.109 -2.774 0.969 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.912 -1.485 1.464 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.141 -3.696 1.488 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.546 -3.684 2.835 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.524 -4.567 3.294 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.885 -4.525 4.584 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.115 -5.479 2.432 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.054 -6.323 2.880 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.733 -5.525 1.099 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.752 -4.641 0.635 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.956 -0.472 -0.731 0.00 0.00 -0.327 N ATOM 16 C LIG 1 1.959 0.271 0.048 0.00 0.00 +0.130 C ATOM 17 C LIG 1 3.313 0.285 -0.731 0.00 0.00 +0.066 C ATOM 18 C LIG 1 3.058 0.874 -2.142 0.00 0.00 +0.028 C ATOM 19 C LIG 1 1.911 0.179 -2.887 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.639 0.106 -2.046 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.805 -1.112 -0.886 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 2.997 -1.680 -1.164 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 4.041 -1.470 0.044 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 4.321 1.145 0.071 0.00 0.00 +0.218 C ATOM 25 F LIG 1 4.410 0.616 1.334 0.00 0.00 -0.241 F BRANCH 24 26 ATOM 26 C LIG 1 5.725 1.197 -0.513 0.00 0.00 +0.252 C ATOM 27 F LIG 1 6.443 2.140 0.166 0.00 0.00 -0.246 F ENDBRANCH 24 26 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 28 ATOM 28 C LIG 1 -0.845 0.766 1.478 0.00 0.00 +0.161 C BRANCH 28 33 ATOM 29 C LIG 1 -1.093 4.949 -0.947 0.00 0.00 +0.147 A ATOM 30 C LIG 1 -1.474 3.645 -0.590 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -2.490 2.819 -1.023 0.00 0.00 -0.231 NA ATOM 32 C LIG 1 -2.356 1.719 -0.312 0.00 0.00 +0.202 A ATOM 33 N LIG 1 -1.274 1.779 0.528 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -0.705 3.015 0.376 0.00 0.00 +0.166 A ATOM 35 N LIG 1 0.368 3.514 1.013 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 0.638 4.766 0.589 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -0.008 5.492 -0.349 0.00 0.00 -0.219 NA BRANCH 29 38 ATOM 38 N LIG 1 -1.765 5.704 -1.897 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -2.345 5.160 -2.525 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -1.196 6.443 -2.288 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 8