REMARK Name = BDB048187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.827 -2.787 -0.220 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.946 -1.940 -0.073 0.00 0.00 +0.001 A ATOM 3 C LIG 1 -1.831 -0.481 -0.465 0.00 0.00 +0.058 C ATOM 4 C LIG 1 -3.186 0.164 -0.717 0.00 0.00 +0.116 C ATOM 5 N LIG 1 -4.082 -0.093 0.397 0.00 0.00 -0.263 N ATOM 6 C LIG 1 -4.331 -1.489 0.714 0.00 0.00 +0.146 C ATOM 7 C LIG 1 -5.013 0.831 0.839 0.00 0.00 +0.403 C ATOM 8 O LIG 1 -5.914 0.563 1.626 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 -3.154 -2.427 0.489 0.00 0.00 -0.020 A ATOM 10 C LIG 1 -3.248 -3.794 0.844 0.00 0.00 -0.042 A ATOM 11 C LIG 1 -2.120 -4.617 0.685 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.925 -4.120 0.164 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 0.300 -2.194 -0.721 0.00 0.00 -0.491 OA BRANCH 13 14 ATOM 14 C LIG 1 1.473 -2.976 -0.965 0.00 0.00 +0.235 C BRANCH 14 15 ATOM 15 C LIG 1 2.335 -3.116 0.289 0.00 0.00 +0.100 C BRANCH 15 18 ATOM 16 C LIG 1 1.365 -0.544 2.254 0.00 0.00 +0.088 C ATOM 17 C LIG 1 2.581 -0.817 1.470 0.00 0.00 +0.126 A ATOM 18 C LIG 1 3.013 -1.844 0.657 0.00 0.00 +0.086 A ATOM 19 N LIG 1 4.266 -1.548 0.169 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 4.551 -0.371 0.694 0.00 0.00 +0.228 A ATOM 21 O LIG 1 3.563 0.132 1.500 0.00 0.00 -0.440 OA BRANCH 20 22 ATOM 22 C LIG 1 5.752 0.446 0.533 0.00 0.00 +0.037 A ATOM 23 C LIG 1 5.925 1.657 1.216 0.00 0.00 +0.014 A ATOM 24 C LIG 1 7.091 2.415 1.047 0.00 0.00 +0.009 A ATOM 25 C LIG 1 8.118 1.988 0.190 0.00 0.00 -0.018 A ATOM 26 C LIG 1 7.938 0.776 -0.495 0.00 0.00 +0.009 A ATOM 27 C LIG 1 6.773 0.017 -0.325 0.00 0.00 +0.014 A BRANCH 25 28 ATOM 28 C LIG 1 9.345 2.784 0.018 0.00 0.00 -0.018 A ATOM 29 C LIG 1 10.614 2.206 0.194 0.00 0.00 +0.008 A ATOM 30 C LIG 1 11.779 2.962 0.035 0.00 0.00 +0.001 A ATOM 31 C LIG 1 11.695 4.310 -0.303 0.00 0.00 +0.000 A ATOM 32 C LIG 1 10.449 4.903 -0.482 0.00 0.00 +0.001 A ATOM 33 C LIG 1 9.284 4.146 -0.322 0.00 0.00 +0.008 A ENDBRANCH 25 28 ENDBRANCH 20 22 ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 34 ATOM 34 O LIG 1 -4.815 2.065 0.304 0.00 0.00 -0.450 OA BRANCH 34 35 ATOM 35 C LIG 1 -5.748 3.099 0.661 0.00 0.00 +0.240 C BRANCH 35 36 ATOM 36 C LIG 1 -6.593 3.522 -0.562 0.00 0.00 -0.003 C ATOM 37 C LIG 1 -7.530 4.670 -0.149 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -5.676 4.004 -1.701 0.00 0.00 +0.014 C ATOM 39 C LIG 1 -7.436 2.341 -1.072 0.00 0.00 +0.014 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 7 34 BRANCH 10 40 ATOM 40 C LIG 1 -4.513 -4.425 1.398 0.00 0.00 +0.046 C BRANCH 40 41 ATOM 41 C LIG 1 -5.144 -5.444 0.447 0.00 0.00 +0.125 C BRANCH 41 42 ATOM 42 C LIG 1 -5.777 -4.775 -0.748 0.00 0.00 +0.305 C ATOM 43 O LIG 1 -6.545 -3.824 -0.673 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -5.450 -5.345 -1.932 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -4.821 -6.091 -1.873 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 10 40 TORSDOF 13