REMARK Name = BDB047271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.243 -0.926 2.211 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.551 0.410 2.476 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 0.791 0.194 2.912 0.00 0.00 -0.490 OA BRANCH 3 8 ATOM 4 C LIG 1 4.024 0.099 0.225 0.00 0.00 -0.043 A ATOM 5 C LIG 1 4.210 0.122 1.613 0.00 0.00 +0.027 A ATOM 6 C LIG 1 3.112 0.155 2.482 0.00 0.00 +0.083 A ATOM 7 CL LIG 1 3.433 0.180 4.183 0.00 0.00 -0.080 Cl ATOM 8 C LIG 1 1.800 0.169 1.986 0.00 0.00 +0.139 A ATOM 9 C LIG 1 1.613 0.135 0.602 0.00 0.00 +0.047 A ATOM 10 C LIG 1 2.712 0.101 -0.266 0.00 0.00 +0.007 A BRANCH 4 15 ATOM 11 C LIG 1 9.151 0.399 -1.770 0.00 0.00 +0.011 C ATOM 12 C LIG 1 8.243 -0.234 -0.699 0.00 0.00 -0.035 C ATOM 13 C LIG 1 7.483 0.874 0.075 0.00 0.00 +0.007 C ATOM 14 C LIG 1 6.157 1.257 -0.584 0.00 0.00 +0.009 C ATOM 15 C LIG 1 5.196 0.058 -0.743 0.00 0.00 +0.019 C ATOM 16 C LIG 1 5.922 -1.298 -0.677 0.00 0.00 +0.009 C ATOM 17 C LIG 1 7.269 -1.222 -1.390 0.00 0.00 +0.007 C ATOM 18 C LIG 1 9.140 -0.996 0.296 0.00 0.00 +0.011 C ENDBRANCH 4 15 ENDBRANCH 3 8 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.688 -0.738 1.766 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 -2.690 -0.035 0.524 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 -3.909 0.253 -0.025 0.00 0.00 +0.124 A ATOM 22 C LIG 1 -5.151 -0.117 0.491 0.00 0.00 +0.091 A ATOM 23 C LIG 1 -6.326 0.240 -0.177 0.00 0.00 +0.129 A ATOM 24 O LIG 1 -7.489 -0.175 0.413 0.00 0.00 -0.474 OA ATOM 25 C LIG 1 -8.696 -0.056 -0.357 0.00 0.00 +0.203 C ATOM 26 C LIG 1 -8.731 1.262 -1.144 0.00 0.00 +0.064 C ATOM 27 C LIG 1 -7.532 1.384 -2.070 0.00 0.00 +0.043 C ATOM 28 C LIG 1 -8.859 -1.294 -1.250 0.00 0.00 +0.068 C ATOM 29 C LIG 1 -6.277 0.991 -1.353 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -5.030 1.350 -1.876 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -3.857 0.984 -1.213 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 -9.877 -0.059 0.626 0.00 0.00 +0.349 C ATOM 33 O LIG 1 -10.921 0.569 0.509 0.00 0.00 -0.246 OA BRANCH 32 34 ATOM 34 O LIG 1 -9.717 -0.883 1.684 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -10.536 -0.767 2.208 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9