REMARK Name = BDB026201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.120 -1.203 0.218 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.493 -0.410 1.216 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.144 -0.592 1.542 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.377 -1.578 0.902 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.009 -2.357 -0.075 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.312 -3.289 -0.745 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.353 -2.183 -0.412 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.898 1.077 -3.383 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.742 -0.170 -2.506 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.778 -1.199 -2.788 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.152 -0.724 -2.618 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.516 -2.373 -1.927 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -5.359 -2.079 -0.416 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -4.466 -0.940 -0.111 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.639 0.235 -1.010 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.037 -1.784 1.252 0.00 0.00 +0.021 A ATOM 17 C LIG 1 1.517 -3.043 1.659 0.00 0.00 +0.134 A ATOM 18 F LIG 1 0.674 -4.083 1.759 0.00 0.00 -0.205 F ATOM 19 C LIG 1 2.853 -3.251 1.996 0.00 0.00 +0.078 A ATOM 20 C LIG 1 3.743 -2.189 1.922 0.00 0.00 +0.138 A ATOM 21 F LIG 1 5.027 -2.396 2.248 0.00 0.00 -0.205 F ATOM 22 C LIG 1 3.305 -0.937 1.504 0.00 0.00 +0.073 A ATOM 23 C LIG 1 1.956 -0.720 1.199 0.00 0.00 +0.027 A BRANCH 22 24 ATOM 24 C LIG 1 4.237 0.188 1.496 0.00 0.00 +0.247 C ATOM 25 N LIG 1 5.067 0.428 0.435 0.00 0.00 -0.306 N ATOM 26 H LIG 1 5.580 1.286 0.608 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 4.252 0.935 2.471 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 5.098 -0.054 -0.965 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.024 -1.579 -1.094 0.00 0.00 +0.031 C ATOM 30 C LIG 1 3.889 0.554 -1.713 0.00 0.00 +0.031 C BRANCH 28 31 ATOM 31 C LIG 1 6.386 0.512 -1.658 0.00 0.00 +0.031 C BRANCH 31 32 ATOM 32 C LIG 1 7.818 0.014 -1.275 0.00 0.00 -0.036 C ATOM 33 C LIG 1 8.059 -0.057 0.239 0.00 0.00 +0.010 C ATOM 34 C LIG 1 8.826 1.030 -1.867 0.00 0.00 +0.010 C ATOM 35 C LIG 1 8.143 -1.355 -1.903 0.00 0.00 +0.010 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 22 24 ENDBRANCH 4 16 BRANCH 2 36 ATOM 36 N LIG 1 -3.326 0.516 1.878 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -4.303 0.423 1.607 0.00 0.00 +0.155 HD ATOM 38 C LIG 1 -2.958 1.545 2.705 0.00 0.00 +0.250 C ATOM 39 O LIG 1 -1.827 1.918 2.989 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -4.132 2.304 3.212 0.00 0.00 +0.062 A ATOM 41 C LIG 1 -4.521 3.588 2.645 0.00 0.00 +0.036 A ATOM 42 C LIG 1 -5.586 4.238 3.154 0.00 0.00 +0.080 A ATOM 43 C LIG 1 -6.361 3.651 4.278 0.00 0.00 +0.249 A ATOM 44 O LIG 1 -7.340 4.220 4.740 0.00 0.00 -0.268 OA ATOM 45 N LIG 1 -5.911 2.439 4.745 0.00 0.00 -0.328 N ATOM 46 H LIG 1 -6.439 2.043 5.515 0.00 0.00 +0.168 HD ATOM 47 C LIG 1 -4.821 1.777 4.236 0.00 0.00 +0.099 A BRANCH 41 48 ATOM 48 C LIG 1 -3.716 4.120 1.496 0.00 0.00 +0.372 C ATOM 49 F LIG 1 -3.822 3.289 0.422 0.00 0.00 -0.204 F ATOM 50 F LIG 1 -4.190 5.325 1.071 0.00 0.00 -0.204 F ENDBRANCH 41 48 ENDBRANCH 38 40 ENDBRANCH 2 36 TORSDOF 9