REMARK Name = BDB035065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.826 2.450 -0.006 0.00 0.00 +0.151 A ATOM 2 C LIG 1 1.276 3.143 1.127 0.00 0.00 +0.191 A ATOM 3 C LIG 1 0.461 3.199 2.261 0.00 0.00 +0.151 A ATOM 4 C LIG 1 -0.781 2.550 2.268 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.199 1.819 1.157 0.00 0.00 +0.032 A ATOM 6 C LIG 1 -0.394 1.764 0.020 0.00 0.00 +0.064 A ENDROOT BRANCH 2 7 ATOM 7 S LIG 1 2.859 3.939 1.081 0.00 0.00 +0.081 S ATOM 8 O LIG 1 2.780 4.960 0.053 0.00 0.00 -0.150 OA ATOM 9 O LIG 1 3.308 4.282 2.415 0.00 0.00 -0.150 OA BRANCH 7 10 ATOM 10 N LIG 1 3.905 2.775 0.497 0.00 0.00 -0.196 N ATOM 11 H LIG 1 4.181 2.910 -0.474 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 C LIG 1 4.049 1.506 1.039 0.00 0.00 +0.192 A ATOM 13 C LIG 1 4.731 0.446 0.386 0.00 0.00 +0.106 A ATOM 14 C LIG 1 4.624 -0.608 1.271 0.00 0.00 +0.173 A ATOM 15 C LIG 1 5.154 -1.877 1.059 0.00 0.00 +0.055 A ATOM 16 C LIG 1 5.834 -2.073 -0.154 0.00 0.00 -0.019 A ATOM 17 C LIG 1 5.950 -1.015 -1.081 0.00 0.00 +0.052 A ATOM 18 O LIG 1 3.925 -0.208 2.366 0.00 0.00 -0.353 OA ATOM 19 C LIG 1 5.414 0.261 -0.831 0.00 0.00 +0.135 A ATOM 20 N LIG 1 3.557 1.118 2.219 0.00 0.00 -0.060 NA BRANCH 19 21 ATOM 21 O LIG 1 5.486 1.331 -1.683 0.00 0.00 -0.494 OA ATOM 22 C LIG 1 6.395 1.221 -2.774 0.00 0.00 +0.277 C ENDBRANCH 19 21 BRANCH 16 23 ATOM 23 C LIG 1 6.438 -3.424 -0.472 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 N LIG 1 7.893 -3.365 -0.514 0.00 0.00 -0.267 N ATOM 25 N LIG 1 8.531 -3.228 -1.696 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 9.823 -3.228 -1.358 0.00 0.00 +0.134 A ATOM 27 C LIG 1 10.016 -3.369 0.028 0.00 0.00 +0.041 A ATOM 28 C LIG 1 8.747 -3.460 0.550 0.00 0.00 +0.108 A ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 10 12 ENDBRANCH 7 10 ENDBRANCH 2 7 BRANCH 1 30 ATOM 29 C LIG 1 1.022 3.146 -2.199 0.00 0.00 +0.277 C ATOM 30 O LIG 1 1.594 2.374 -1.139 0.00 0.00 -0.493 OA ENDBRANCH 1 30 BRANCH 3 31 ATOM 31 O LIG 1 0.778 3.975 3.342 0.00 0.00 -0.493 OA ATOM 32 C LIG 1 1.176 3.174 4.457 0.00 0.00 +0.277 C ENDBRANCH 3 31 BRANCH 5 33 ATOM 33 C LIG 1 -2.457 1.139 1.177 0.00 0.00 -0.066 C ATOM 34 C LIG 1 -3.513 0.567 1.192 0.00 0.00 -0.090 C BRANCH 34 35 ATOM 35 C LIG 1 -4.786 -0.124 1.209 0.00 0.00 +0.099 C ATOM 36 C LIG 1 -5.837 0.369 0.193 0.00 0.00 +0.129 C ATOM 37 N LIG 1 -6.037 -1.023 -0.153 0.00 0.00 -0.265 N ATOM 38 C LIG 1 -7.163 -1.718 -0.474 0.00 0.00 +0.403 C ATOM 39 O LIG 1 -7.228 -2.940 -0.469 0.00 0.00 -0.226 OA ATOM 40 C LIG 1 -4.824 -1.488 0.490 0.00 0.00 +0.129 C BRANCH 38 41 ATOM 41 O LIG 1 -8.178 -0.876 -0.793 0.00 0.00 -0.445 OA BRANCH 41 42 ATOM 42 C LIG 1 -9.480 -1.390 -1.174 0.00 0.00 +0.107 C ATOM 43 C LIG 1 -9.398 -2.219 -2.461 0.00 0.00 +0.055 C ATOM 44 C LIG 1 -10.326 -0.138 -1.452 0.00 0.00 +0.055 C ATOM 45 C LIG 1 -10.128 -2.173 -0.027 0.00 0.00 +0.055 C ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 5 33 TORSDOF 12