REMARK Name = BDB030982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.181 1.818 -1.251 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -0.557 3.142 -1.256 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -1.776 3.387 -0.670 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.553 2.435 -0.118 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.102 1.178 -0.159 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -0.930 0.837 -0.697 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.566 -0.651 -0.528 0.00 0.00 +0.047 A ATOM 8 C LIG 1 4.330 -0.275 -1.876 0.00 0.00 +0.063 A ATOM 9 C LIG 1 3.112 0.394 -2.150 0.00 0.00 +0.058 A ATOM 10 C LIG 1 2.149 0.666 -1.180 0.00 0.00 +0.009 A ATOM 11 C LIG 1 1.068 1.346 -1.822 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.387 1.448 -3.160 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.398 0.257 0.141 0.00 0.00 +0.012 A ATOM 14 N LIG 1 2.623 0.890 -3.342 0.00 0.00 -0.360 N ATOM 15 H LIG 1 3.124 0.854 -4.223 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.601 -0.390 0.450 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 6.224 -1.765 0.993 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.794 -1.270 -0.206 0.00 0.00 -0.251 N ATOM 19 H LIG 1 6.512 -1.317 -0.921 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 5.615 -1.831 2.048 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 8.087 -2.759 2.006 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.500 -2.209 0.825 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 5.279 -0.646 -2.984 0.00 0.00 +0.375 C ATOM 24 F LIG 1 5.154 0.141 -4.092 0.00 0.00 -0.204 F ATOM 25 F LIG 1 6.593 -0.570 -2.625 0.00 0.00 -0.204 F ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 0.252 4.242 -1.833 0.00 0.00 +0.421 C ATOM 27 F LIG 1 0.266 4.238 -3.195 0.00 0.00 -0.166 F ATOM 28 F LIG 1 1.553 4.240 -1.435 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.220 5.477 -1.489 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 -2.839 0.133 0.373 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -2.173 -0.626 0.481 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.630 0.447 1.569 0.00 0.00 +0.087 C ATOM 33 C LIG 1 -3.717 -0.809 2.477 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -4.446 -1.915 1.832 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -3.950 -2.155 0.971 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 -5.812 -1.479 1.467 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -6.913 -1.694 2.476 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -6.844 -2.557 1.250 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -5.871 -0.255 0.575 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -5.053 0.891 1.178 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7