REMARK Name = BDB013584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.149 0.462 -1.168 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.122 1.798 -0.725 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.045 2.708 -0.986 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.206 2.292 0.020 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.306 1.486 0.324 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.362 0.165 -0.121 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.284 -0.321 -0.885 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.995 -0.181 -1.930 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.632 0.509 -1.010 0.00 0.00 +0.189 C ATOM 10 O LIG 1 5.285 -0.695 -0.574 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.866 -1.047 0.675 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.588 -1.526 0.944 0.00 0.00 +0.147 A ATOM 13 C LIG 1 3.225 -1.837 2.262 0.00 0.00 +0.032 A ATOM 14 C LIG 1 4.151 -1.687 3.296 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.440 -1.239 3.017 0.00 0.00 +0.004 A ATOM 16 S LIG 1 2.434 -1.819 -0.364 0.00 0.00 +0.065 S ATOM 17 O LIG 1 1.171 -2.167 0.265 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 3.034 -2.725 -1.318 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.247 -0.289 -1.121 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.800 -0.925 1.707 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.442 0.161 -1.914 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 6.295 0.686 -2.970 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.685 1.359 -1.746 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.501 -0.792 0.253 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -4.896 -0.143 0.192 0.00 0.00 -0.036 A ATOM 26 C LIG 1 -5.623 0.399 1.276 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -5.130 0.428 2.698 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -6.904 0.945 1.041 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -7.459 0.992 -0.241 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.736 0.487 -1.315 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.475 -0.069 -1.099 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -8.758 1.562 -0.446 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -9.809 2.025 -0.610 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -3.163 -1.596 1.523 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -2.008 -2.518 1.247 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -2.018 -3.449 0.458 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.887 -2.139 1.889 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -0.141 -2.489 1.337 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9