REMARK Name = BDB035468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.486 -1.074 -1.279 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.165 -0.687 -0.105 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.241 -0.114 0.889 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.565 -1.112 -0.230 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.597 -0.938 0.675 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.861 -1.428 0.328 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.037 -2.074 -0.920 0.00 0.00 +0.014 A ATOM 8 C LIG 1 2.974 -2.250 -1.828 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.731 -1.750 -1.455 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.428 -1.756 -2.187 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.103 0.024 -1.016 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.732 -0.198 -0.729 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.856 -0.865 -1.601 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.379 -1.324 -2.816 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.722 -1.130 -3.138 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.566 -0.469 -2.249 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.690 0.553 1.442 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.604 0.647 -0.098 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.051 0.794 0.029 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.216 0.095 1.425 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.626 2.326 0.155 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.438 3.235 -0.851 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.569 3.036 -2.267 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.113 4.408 -0.243 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.117 4.245 1.058 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.441 2.933 1.310 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.696 -0.540 3.354 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.654 -0.400 1.941 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.214 -2.945 -3.140 0.00 0.00 +0.372 C ATOM 30 F LIG 1 4.110 -2.283 -3.922 0.00 0.00 -0.204 F ATOM 31 F LIG 1 2.090 -3.075 -3.900 0.00 0.00 -0.204 F ENDBRANCH 8 29 BRANCH 6 32 ATOM 32 C LIG 1 5.036 -1.256 1.268 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.023 -0.344 0.689 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.531 0.484 0.352 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.137 -0.050 1.614 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.714 1.038 2.640 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.191 2.120 1.651 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.018 1.037 0.932 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.901 -1.262 2.107 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8