REMARK Name = BDB026103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.371 -0.495 0.352 0.00 0.00 +0.021 A ATOM 2 C LIG 1 1.130 -1.781 0.860 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.157 -2.572 1.209 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.159 -2.284 1.032 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.268 -1.502 0.703 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.053 -0.204 0.187 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.247 0.284 0.015 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.601 -1.960 0.856 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.964 -3.035 -0.108 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.240 -4.396 0.594 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.447 -5.495 -0.455 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.287 -4.330 1.651 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.636 -4.682 1.216 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.306 -3.003 2.316 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.955 -2.259 2.264 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.362 0.946 -0.210 0.00 0.00 +0.121 A ATOM 17 N LIG 1 5.044 -0.315 -0.563 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 3.769 -0.740 -0.364 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.737 0.028 0.172 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.086 1.337 0.513 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.391 1.796 0.320 0.00 0.00 +0.044 A BRANCH 16 27 ATOM 22 C LIG 1 8.685 3.791 -0.006 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.743 2.380 0.578 0.00 0.00 +0.132 C ATOM 24 O LIG 1 9.541 1.508 -0.245 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.876 1.141 -1.464 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.505 0.501 -1.204 0.00 0.00 +0.134 C ATOM 27 N LIG 1 6.671 1.428 -0.410 0.00 0.00 -0.311 N ATOM 28 C LIG 1 7.339 1.794 0.858 0.00 0.00 +0.137 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.218 0.524 -0.135 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.063 -0.028 0.006 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.318 1.826 -0.555 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.408 2.636 -0.687 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.732 2.260 -0.769 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -4.630 1.687 -1.761 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -5.881 2.173 -1.863 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -6.362 3.276 -0.987 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -7.518 3.666 -1.111 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.431 3.781 -0.085 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.808 4.882 0.788 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.144 3.276 0.006 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -4.141 0.603 -2.671 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -4.014 -0.568 -1.991 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.923 0.888 -3.194 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6