REMARK Name = BDB027406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.351 0.460 -1.218 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.127 0.995 -0.780 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.210 2.067 0.112 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.354 2.646 0.550 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.522 2.139 0.103 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.550 1.066 -0.788 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.743 2.796 0.614 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.942 2.089 0.823 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.077 2.739 1.307 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.203 2.035 1.492 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.047 4.095 1.597 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.142 4.713 2.060 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.880 4.821 1.412 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.738 4.173 0.927 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.086 0.486 -1.230 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.092 0.043 -0.231 0.00 0.00 +0.133 C ATOM 17 C LIG 1 3.510 0.667 -0.468 0.00 0.00 +0.075 C ATOM 18 C LIG 1 3.958 0.366 -1.925 0.00 0.00 +0.031 C ATOM 19 C LIG 1 2.815 0.191 -2.932 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.546 0.937 -2.545 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.544 0.084 0.515 0.00 0.00 +0.063 A ATOM 22 N LIG 1 4.140 -0.891 1.371 0.00 0.00 -0.252 NA ATOM 23 C LIG 1 5.045 -1.406 2.246 0.00 0.00 +0.072 A ATOM 24 C LIG 1 6.367 -0.976 2.289 0.00 0.00 +0.026 A ATOM 25 C LIG 1 6.774 0.023 1.415 0.00 0.00 +0.004 A ATOM 26 C LIG 1 5.856 0.562 0.520 0.00 0.00 +0.025 A BRANCH 23 27 ATOM 27 C LIG 1 4.566 -2.498 3.168 0.00 0.00 +0.268 C ATOM 28 F LIG 1 5.449 -2.808 4.163 0.00 0.00 -0.242 F ENDBRANCH 23 27 ENDBRANCH 17 21 BRANCH 17 29 ATOM 29 N LIG 1 3.446 2.149 -0.291 0.00 0.00 -0.319 NA ATOM 30 H LIG 1 2.611 2.492 -0.761 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 3.281 2.332 0.701 0.00 0.00 +0.119 HD ENDBRANCH 17 29 ENDBRANCH 2 15 BRANCH 1 32 ATOM 32 C LIG 1 -1.383 -0.735 -2.148 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 -3.789 -4.282 0.115 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -3.562 -3.297 -0.862 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -4.306 -2.864 -1.942 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -3.573 -1.923 -2.498 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -2.412 -1.702 -1.805 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -2.377 -2.585 -0.761 0.00 0.00 +0.166 A ATOM 39 N LIG 1 -1.418 -2.731 0.166 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -1.750 -3.689 1.054 0.00 0.00 +0.225 A ATOM 41 N LIG 1 -2.864 -4.454 1.087 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 -4.930 -5.075 0.146 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -5.709 -4.680 -0.368 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -5.111 -5.443 1.070 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 8