REMARK Name = BDB013585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.171 -0.428 -2.378 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.195 0.678 -3.169 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.687 1.225 -4.258 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.441 1.283 -2.952 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.321 0.796 -1.982 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.995 -0.321 -1.198 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.755 -0.930 -1.437 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 1.514 -1.124 -2.484 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 2.945 1.111 0.185 0.00 0.00 +0.191 C ATOM 10 O LIG 1 3.316 0.318 1.322 0.00 0.00 -0.470 OA ATOM 11 C LIG 1 4.368 -0.520 1.098 0.00 0.00 +0.242 A ATOM 12 C LIG 1 4.183 -1.739 0.480 0.00 0.00 +0.167 A ATOM 13 C LIG 1 5.263 -2.605 0.340 0.00 0.00 +0.035 A ATOM 14 C LIG 1 6.500 -2.205 0.839 0.00 0.00 +0.022 A ATOM 15 C LIG 1 6.597 -0.958 1.442 0.00 0.00 +0.115 A ATOM 16 S LIG 1 2.601 -2.093 -0.175 0.00 0.00 +0.066 S ATOM 17 O LIG 1 2.693 -3.355 -0.880 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 1.617 -1.910 0.873 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.412 -0.893 -1.335 0.00 0.00 -0.169 NA ATOM 20 N LIG 1 5.558 -0.103 1.579 0.00 0.00 -0.220 NA ATOM 21 C LIG 1 3.044 0.438 -1.206 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 1.419 2.482 1.693 0.00 0.00 +0.007 C ATOM 23 C LIG 1 1.520 1.634 0.432 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -3.017 -0.821 -0.165 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -3.481 0.245 0.847 0.00 0.00 -0.036 A ATOM 26 C LIG 1 -4.846 0.407 1.192 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -5.942 -0.422 0.574 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -5.212 1.398 2.123 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -4.251 2.219 2.721 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -2.909 2.059 2.389 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -2.533 1.085 1.461 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -4.646 3.221 3.666 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -4.973 4.035 4.427 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -2.798 -2.195 0.508 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -1.526 -2.471 1.263 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -1.099 -3.597 1.474 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -0.844 -1.393 1.666 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 0.085 -1.714 1.808 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9