REMARK Name = BDB037883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.411 -0.605 -0.014 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.894 -1.672 -0.657 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.579 -1.929 -0.463 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.289 -1.176 0.336 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.262 -0.055 0.980 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.634 0.210 0.808 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.585 0.161 -0.733 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.618 1.144 -0.965 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.984 2.351 -1.423 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.263 0.907 -0.733 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.832 -0.339 -0.254 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.810 -1.317 -0.022 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.466 -2.518 0.469 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.168 -1.079 -0.255 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.878 -0.475 -0.819 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.878 0.520 -0.998 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.649 -1.487 0.487 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.486 -0.876 -0.578 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.953 -1.430 -0.569 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.884 -2.951 -0.833 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.641 -3.640 -0.254 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.976 -2.867 0.877 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.557 -1.205 0.775 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -5.540 -1.460 0.800 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.514 -0.199 0.962 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.770 -0.677 -1.671 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -6.169 -1.240 -1.940 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.104 -2.481 -2.478 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.765 -0.454 -2.882 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.878 0.717 -1.303 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.399 1.153 -2.005 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.580 0.779 1.923 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -0.247 2.202 1.897 0.00 0.00 -0.327 N ATOM 34 C LIG 1 -0.599 3.078 0.899 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -0.120 4.333 1.251 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -0.372 5.367 0.352 0.00 0.00 +0.124 A ATOM 37 N LIG 1 -1.053 5.113 -0.788 0.00 0.00 -0.243 NA ATOM 38 C LIG 1 -1.463 3.846 -1.004 0.00 0.00 +0.223 A ATOM 39 C LIG 1 0.528 4.201 2.507 0.00 0.00 +0.031 A ATOM 40 N LIG 1 -1.280 2.771 -0.219 0.00 0.00 -0.218 NA ATOM 41 C LIG 1 0.425 2.879 2.890 0.00 0.00 +0.088 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9