REMARK Name = BDB037888 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.322 -0.586 -0.255 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.720 -1.780 -0.098 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.397 -1.845 -0.372 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.416 -0.774 -0.771 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.213 0.478 -0.864 0.00 0.00 -0.002 A ATOM 6 C LIG 1 1.607 0.547 -0.637 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.540 -0.495 0.592 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.652 0.365 1.246 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.109 1.235 2.159 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.284 0.347 0.977 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.757 -0.547 0.032 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.657 -1.403 -0.620 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.220 -2.256 -1.559 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.030 -1.384 -0.350 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.779 -1.261 0.324 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.856 -0.375 0.945 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.754 -1.048 -1.047 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.708 -0.809 0.050 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.950 -1.728 -0.150 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.538 -1.461 -1.562 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.495 -1.595 -2.682 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.248 -0.755 -2.399 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.525 -3.169 -0.120 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.106 -3.382 0.788 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.738 -3.261 -0.773 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.997 -1.556 0.993 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.597 -0.150 1.140 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.312 0.210 0.049 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.444 -0.107 2.200 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -6.030 -2.548 0.811 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.569 -3.327 0.435 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.525 1.742 -1.237 0.00 0.00 +0.181 C BRANCH 32 33 ATOM 33 N LIG 1 -0.119 2.903 -0.443 0.00 0.00 -0.256 N ATOM 34 C LIG 1 -0.321 3.099 0.898 0.00 0.00 +0.106 A ATOM 35 C LIG 1 0.174 4.362 1.168 0.00 0.00 +0.112 A ATOM 36 N LIG 1 0.148 4.921 2.397 0.00 0.00 -0.232 NA ATOM 37 C LIG 1 -0.406 4.122 3.323 0.00 0.00 +0.221 A ATOM 38 N LIG 1 -0.908 2.881 3.152 0.00 0.00 -0.242 NA ATOM 39 C LIG 1 0.659 4.833 -0.067 0.00 0.00 +0.162 A ATOM 40 C LIG 1 -0.862 2.343 1.917 0.00 0.00 +0.142 A ATOM 41 N LIG 1 0.487 3.947 -1.056 0.00 0.00 -0.177 NA ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9