REMARK Name = BDB058002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.434 1.760 -0.999 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.997 0.492 -1.224 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.472 -0.688 -0.651 0.00 0.00 +0.060 A ATOM 4 C LIG 1 0.761 -0.586 0.001 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.481 -1.831 0.361 0.00 0.00 +0.083 A ATOM 6 C LIG 1 0.634 -3.041 0.511 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -0.631 -3.104 -0.102 0.00 0.00 +0.104 A ATOM 8 C LIG 1 -1.309 -4.341 0.019 0.00 0.00 +0.187 A ATOM 9 C LIG 1 -0.773 -5.411 0.756 0.00 0.00 +0.203 A ATOM 10 C LIG 1 0.466 -5.309 1.360 0.00 0.00 +0.163 A ATOM 11 C LIG 1 1.178 -4.129 1.231 0.00 0.00 +0.061 A ATOM 12 N LIG 1 2.765 -2.013 0.505 0.00 0.00 -0.247 NA ATOM 13 C LIG 1 1.297 0.679 0.287 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -1.197 -1.933 -0.736 0.00 0.00 -0.272 N ATOM 15 C LIG 1 -2.474 -1.990 -1.307 0.00 0.00 +0.263 C ATOM 16 O LIG 1 -2.766 -2.792 -2.198 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 0.704 1.841 -0.202 0.00 0.00 +0.004 A ENDROOT BRANCH 12 18 ATOM 18 C LIG 1 3.755 -1.076 0.208 0.00 0.00 +0.065 A ATOM 19 C LIG 1 4.574 -0.596 1.234 0.00 0.00 +0.031 A ATOM 20 C LIG 1 5.598 0.313 0.958 0.00 0.00 +0.048 A ATOM 21 C LIG 1 5.828 0.717 -0.359 0.00 0.00 +0.129 A ATOM 22 C LIG 1 5.022 0.237 -1.391 0.00 0.00 +0.048 A ATOM 23 C LIG 1 4.002 -0.673 -1.109 0.00 0.00 +0.031 A BRANCH 21 24 ATOM 24 O LIG 1 6.795 1.637 -0.696 0.00 0.00 -0.456 OA BRANCH 24 25 ATOM 25 C LIG 1 8.056 1.447 -0.177 0.00 0.00 +0.128 A ATOM 26 C LIG 1 8.706 2.572 0.331 0.00 0.00 +0.046 A ATOM 27 C LIG 1 9.999 2.456 0.842 0.00 0.00 +0.004 A ATOM 28 C LIG 1 10.645 1.219 0.830 0.00 0.00 +0.000 A ATOM 29 C LIG 1 10.003 0.099 0.301 0.00 0.00 +0.004 A ATOM 30 C LIG 1 8.710 0.212 -0.211 0.00 0.00 +0.046 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 12 18 BRANCH 15 31 ATOM 31 C LIG 1 -3.559 -1.131 -0.739 0.00 0.00 +0.040 A ATOM 32 C LIG 1 -3.542 -0.697 0.587 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -4.567 0.126 1.066 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.641 0.524 0.244 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -5.653 0.047 -1.077 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.630 -0.775 -1.562 0.00 0.00 +0.013 A BRANCH 34 37 ATOM 37 C LIG 1 -6.740 1.443 0.806 0.00 0.00 -0.013 C ATOM 38 C LIG 1 -6.112 2.777 1.266 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -7.848 1.789 -0.215 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -7.426 0.761 2.010 0.00 0.00 +0.015 C ENDBRANCH 34 37 ENDBRANCH 15 31 BRANCH 1 42 ATOM 41 C LIG 1 -1.021 3.015 -3.105 0.00 0.00 +0.012 C ATOM 42 C LIG 1 -1.051 3.022 -1.575 0.00 0.00 +0.013 C ATOM 43 C LIG 1 -2.476 3.240 -1.057 0.00 0.00 +0.012 C ENDBRANCH 1 42 BRANCH 8 44 ATOM 44 O LIG 1 -2.531 -4.645 -0.539 0.00 0.00 -0.502 OA ATOM 45 H LIG 1 -2.599 -4.184 -1.406 0.00 0.00 +0.292 HD ENDBRANCH 8 44 BRANCH 9 46 ATOM 46 O LIG 1 -1.498 -6.571 0.858 0.00 0.00 -0.501 OA ATOM 47 H LIG 1 -2.324 -6.390 0.369 0.00 0.00 +0.292 HD ENDBRANCH 9 46 BRANCH 10 48 ATOM 48 O LIG 1 0.975 -6.361 2.062 0.00 0.00 -0.503 OA ATOM 49 H LIG 1 1.879 -6.153 2.344 0.00 0.00 +0.292 HD ENDBRANCH 10 48 TORSDOF 9