REMARK Name = BDB047260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.192 1.737 -0.279 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 2.216 0.309 -0.294 0.00 0.00 -0.492 OA BRANCH 2 9 ATOM 3 C LIG 1 8.236 -0.344 -0.009 0.00 0.00 +0.206 C ATOM 4 O LIG 1 7.020 0.353 -0.325 0.00 0.00 -0.474 OA ATOM 5 C LIG 1 5.864 -0.380 -0.305 0.00 0.00 +0.129 A ATOM 6 C LIG 1 5.833 -1.776 -0.311 0.00 0.00 -0.005 A ATOM 7 C LIG 1 4.596 -2.427 -0.288 0.00 0.00 +0.011 A ATOM 8 C LIG 1 3.412 -1.687 -0.284 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.445 -0.291 -0.297 0.00 0.00 +0.124 A ATOM 10 C LIG 1 7.102 -2.572 -0.311 0.00 0.00 +0.043 C ATOM 11 C LIG 1 4.677 0.360 -0.310 0.00 0.00 +0.091 A ATOM 12 C LIG 1 8.273 -1.698 -0.743 0.00 0.00 +0.064 C BRANCH 3 14 ATOM 13 C LIG 1 9.418 1.948 0.064 0.00 0.00 +0.008 C ATOM 14 C LIG 1 9.383 0.549 -0.546 0.00 0.00 +0.056 C ENDBRANCH 3 14 BRANCH 3 15 ATOM 15 C LIG 1 8.416 -0.532 1.524 0.00 0.00 +0.349 C ATOM 16 O LIG 1 7.629 -0.138 2.374 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 9.553 -1.179 1.885 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 10.153 -1.430 1.161 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.739 2.194 -0.260 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 -0.011 1.758 -1.517 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 -1.359 2.229 -1.479 0.00 0.00 -0.490 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.333 1.427 -0.947 0.00 0.00 +0.139 A ATOM 23 C LIG 1 -3.660 1.848 -1.112 0.00 0.00 +0.083 A ATOM 24 CL LIG 1 -4.042 3.307 -1.964 0.00 0.00 -0.080 Cl ATOM 25 C LIG 1 -4.726 1.099 -0.595 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -4.498 -0.090 0.105 0.00 0.00 -0.043 A ATOM 27 C LIG 1 -3.166 -0.501 0.274 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.098 0.246 -0.242 0.00 0.00 +0.047 A BRANCH 26 29 ATOM 29 C LIG 1 -5.617 -0.945 0.690 0.00 0.00 +0.019 C ATOM 30 C LIG 1 -6.537 -1.563 -0.376 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -7.716 -0.686 -0.801 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -8.518 -0.106 0.382 0.00 0.00 -0.035 C ATOM 33 C LIG 1 -9.302 -1.221 1.102 0.00 0.00 +0.011 C ATOM 34 C LIG 1 -9.538 0.914 -0.160 0.00 0.00 +0.011 C ATOM 35 C LIG 1 -7.570 0.611 1.366 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -6.391 -0.248 1.823 0.00 0.00 +0.009 C ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10