REMARK Name = BDB012734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.049 0.238 -2.321 0.00 0.00 +0.169 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.428 -1.231 -2.099 0.00 0.00 +0.246 C ATOM 3 F LIG 1 -2.455 -1.543 -2.941 0.00 0.00 -0.246 F ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -2.201 1.177 -1.895 0.00 0.00 +0.159 C BRANCH 4 13 ATOM 5 C LIG 1 -4.457 -1.020 1.081 0.00 0.00 +0.195 A ATOM 6 N LIG 1 -4.073 -0.795 2.389 0.00 0.00 -0.293 N ATOM 7 H LIG 1 -4.513 -1.302 3.137 0.00 0.00 +0.172 HD ATOM 8 C LIG 1 -3.134 0.148 2.781 0.00 0.00 +0.280 A ATOM 9 O LIG 1 -2.823 0.318 3.955 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 -2.582 0.872 1.657 0.00 0.00 +0.172 A ATOM 11 N LIG 1 -1.603 1.838 1.606 0.00 0.00 -0.229 NA ATOM 12 C LIG 1 -1.520 2.138 0.324 0.00 0.00 +0.201 A ATOM 13 N LIG 1 -2.296 1.308 -0.451 0.00 0.00 -0.312 N ATOM 14 C LIG 1 -3.043 0.550 0.400 0.00 0.00 +0.169 A ATOM 15 N LIG 1 -3.973 -0.371 0.057 0.00 0.00 -0.196 NA BRANCH 5 16 ATOM 16 N LIG 1 -5.390 -1.986 0.888 0.00 0.00 -0.329 N ATOM 17 H LIG 1 -5.468 -2.233 -0.095 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -5.309 -2.804 1.478 0.00 0.00 +0.145 HD ENDBRANCH 5 16 ENDBRANCH 4 13 ENDBRANCH 1 4 BRANCH 1 19 ATOM 19 O LIG 1 0.160 0.758 -1.746 0.00 0.00 -0.360 OA BRANCH 19 20 ATOM 20 C LIG 1 1.225 -0.129 -1.393 0.00 0.00 +0.287 C BRANCH 20 21 ATOM 21 P LIG 1 1.087 -0.532 0.355 0.00 0.00 +0.364 P ATOM 22 O LIG 1 -0.118 -1.333 0.736 0.00 0.00 -0.256 OA BRANCH 21 23 ATOM 23 O LIG 1 1.118 0.874 1.150 0.00 0.00 -0.322 OA ATOM 24 H LIG 1 0.342 0.945 1.766 0.00 0.00 +0.220 HD ENDBRANCH 21 23 BRANCH 21 25 ATOM 25 O LIG 1 2.447 -1.206 0.835 0.00 0.00 -0.206 OA BRANCH 25 26 ATOM 26 P LIG 1 3.869 -0.526 1.040 0.00 0.00 +0.490 P ATOM 27 O LIG 1 4.952 -1.473 1.455 0.00 0.00 -0.227 OA BRANCH 26 28 ATOM 28 O LIG 1 3.571 0.650 2.079 0.00 0.00 -0.302 OA ATOM 29 H LIG 1 2.757 1.157 1.860 0.00 0.00 +0.222 HD ENDBRANCH 26 28 BRANCH 26 30 ATOM 30 O LIG 1 4.184 0.216 -0.323 0.00 0.00 -0.186 OA BRANCH 30 31 ATOM 31 P LIG 1 5.663 0.516 -0.815 0.00 0.00 +0.481 P ATOM 32 O LIG 1 5.749 1.159 -2.157 0.00 0.00 -0.227 OA BRANCH 31 33 ATOM 33 O LIG 1 6.462 -0.857 -0.686 0.00 0.00 -0.302 OA ATOM 34 H LIG 1 6.399 -1.256 0.213 0.00 0.00 +0.222 HD ENDBRANCH 31 33 BRANCH 31 35 ATOM 35 O LIG 1 6.335 1.415 0.313 0.00 0.00 -0.302 OA ATOM 36 H LIG 1 7.047 1.964 -0.067 0.00 0.00 +0.222 HD ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 15