REMARK Name = BDB051163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.936 -0.395 0.317 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.924 0.848 1.108 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 1.479 0.720 1.952 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 1.451 1.537 0.561 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 0.083 -0.197 -0.959 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 -1.394 0.215 -0.732 0.00 0.00 -0.005 C BRANCH 6 7 ATOM 7 C LIG 1 -2.179 -0.842 0.081 0.00 0.00 +0.038 C BRANCH 7 8 ATOM 8 C LIG 1 -3.588 -0.441 0.454 0.00 0.00 -0.047 A ATOM 9 C LIG 1 -3.819 0.652 1.295 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.123 1.025 1.647 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -6.238 0.315 1.175 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -5.987 -0.789 0.338 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.686 -1.164 -0.014 0.00 0.00 +0.004 A BRANCH 11 14 ATOM 14 C LIG 1 -7.683 0.699 1.538 0.00 0.00 -0.013 C ATOM 15 C LIG 1 -8.472 1.023 0.251 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -7.788 1.933 2.461 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -8.364 -0.478 2.269 0.00 0.00 +0.015 C ENDBRANCH 11 14 ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 18 ATOM 18 C LIG 1 -2.076 0.637 -2.063 0.00 0.00 +0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -1.856 -0.220 -3.329 0.00 0.00 -0.017 C ATOM 20 C LIG 1 -2.402 -1.641 -3.220 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -2.510 0.478 -4.529 0.00 0.00 +0.007 C ENDBRANCH 18 19 ENDBRANCH 6 18 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 2.393 -0.809 -0.067 0.00 0.00 +0.132 C BRANCH 22 23 ATOM 23 O LIG 1 3.026 0.307 -0.704 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 3.760 -0.038 -1.252 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.214 -1.242 1.165 0.00 0.00 +0.045 C BRANCH 25 26 ATOM 26 C LIG 1 4.513 -1.978 0.791 0.00 0.00 +0.074 C ATOM 27 C LIG 1 5.137 -2.659 2.010 0.00 0.00 +0.017 C BRANCH 26 30 ATOM 28 N LIG 1 6.186 -0.174 0.898 0.00 0.00 -0.315 N ATOM 29 H LIG 1 6.070 -0.210 1.901 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 5.490 -1.040 0.093 0.00 0.00 +0.216 C ATOM 31 O LIG 1 5.552 -1.012 -1.136 0.00 0.00 -0.276 OA BRANCH 28 32 ATOM 32 C LIG 1 7.115 0.800 0.359 0.00 0.00 +0.104 C BRANCH 32 33 ATOM 33 C LIG 1 8.495 0.185 0.132 0.00 0.00 +0.018 C BRANCH 33 35 ATOM 34 C LIG 1 9.838 2.339 0.371 0.00 0.00 +0.004 C ATOM 35 C LIG 1 9.489 1.152 -0.512 0.00 0.00 -0.002 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 16