REMARK Name = BDB000359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.289 -3.244 -0.507 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.482 -4.574 -1.308 0.00 0.00 -0.014 C ATOM 3 C LIG 1 1.496 -4.437 -2.452 0.00 0.00 +0.007 C ATOM 4 C LIG 1 0.944 -5.731 -0.410 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.120 -2.042 -1.400 0.00 0.00 +0.039 C BRANCH 5 6 ATOM 6 C LIG 1 1.021 -1.203 -1.937 0.00 0.00 -0.043 A ATOM 7 C LIG 1 1.892 -0.539 -1.057 0.00 0.00 +0.053 A ATOM 8 C LIG 1 2.934 0.261 -1.541 0.00 0.00 +0.162 A ATOM 9 C LIG 1 3.122 0.397 -2.930 0.00 0.00 +0.162 A ATOM 10 C LIG 1 2.239 -0.240 -3.806 0.00 0.00 +0.049 A ATOM 11 C LIG 1 1.193 -1.024 -3.313 0.00 0.00 +0.007 A BRANCH 9 12 ATOM 12 O LIG 1 4.173 1.187 -3.323 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 4.454 1.262 -4.715 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 3.833 0.921 -0.740 0.00 0.00 -0.488 OA BRANCH 14 15 ATOM 15 C LIG 1 3.465 1.128 0.623 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 4.490 2.069 1.244 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 4.178 2.350 2.708 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 5.099 3.292 3.259 0.00 0.00 -0.380 OA BRANCH 18 19 ATOM 19 C LIG 1 6.315 2.695 3.704 0.00 0.00 +0.156 C ATOM 20 C LIG 1 7.212 3.789 4.248 0.00 0.00 +0.034 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.631 -3.357 0.750 0.00 0.00 +0.025 C BRANCH 21 22 ATOM 22 C LIG 1 -2.150 -3.659 0.647 0.00 0.00 +0.080 C BRANCH 22 23 ATOM 23 N LIG 1 -2.394 -4.946 -0.023 0.00 0.00 -0.325 NA ATOM 24 H LIG 1 -3.269 -5.347 0.312 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.472 -4.824 -1.030 0.00 0.00 +0.119 HD ENDBRANCH 22 23 BRANCH 22 26 ATOM 26 C LIG 1 -3.054 -2.535 0.056 0.00 0.00 +0.132 C BRANCH 26 27 ATOM 27 O LIG 1 -4.409 -3.003 0.007 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -4.403 -3.832 -0.500 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -3.026 -1.243 0.889 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 -3.833 -0.084 0.260 0.00 0.00 +0.074 C ATOM 31 C LIG 1 -5.308 -0.106 0.670 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 -3.661 2.316 -0.122 0.00 0.00 -0.315 N ATOM 33 H LIG 1 -4.380 2.154 -0.814 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -3.229 1.264 0.659 0.00 0.00 +0.216 C ATOM 35 O LIG 1 -2.440 1.402 1.589 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 -3.266 3.683 0.148 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 -4.109 4.333 1.247 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 -5.941 5.247 -0.279 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -5.609 4.409 0.946 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 21