REMARK Name = BDB057159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.659 -0.734 1.036 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.282 -0.113 -0.159 0.00 0.00 +0.004 A ATOM 3 C LIG 1 0.070 0.047 -0.478 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.078 -0.406 0.386 0.00 0.00 -0.018 A ATOM 5 C LIG 1 0.688 -1.028 1.582 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.663 -1.192 1.904 0.00 0.00 +0.004 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.501 -0.235 0.050 0.00 0.00 -0.018 A ATOM 8 C LIG 1 3.384 0.398 0.938 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.742 0.560 0.627 0.00 0.00 +0.046 A ATOM 10 C LIG 1 5.246 0.092 -0.582 0.00 0.00 +0.122 A ATOM 11 C LIG 1 4.375 -0.539 -1.473 0.00 0.00 +0.046 A ATOM 12 C LIG 1 3.020 -0.701 -1.164 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 6.533 0.164 -1.025 0.00 0.00 -0.477 OA BRANCH 13 14 ATOM 14 C LIG 1 7.556 0.813 -0.274 0.00 0.00 +0.285 C BRANCH 14 15 ATOM 15 C LIG 1 7.297 2.278 0.087 0.00 0.00 +0.346 C ATOM 16 O LIG 1 7.376 2.788 1.194 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 6.964 3.035 -0.982 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 6.797 3.927 -0.612 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 BRANCH 14 19 ATOM 19 C LIG 1 8.026 -0.011 0.940 0.00 0.00 +0.091 C BRANCH 19 20 ATOM 20 C LIG 1 8.805 -1.246 0.538 0.00 0.00 -0.043 A ATOM 21 C LIG 1 10.206 -1.222 0.499 0.00 0.00 +0.004 A ATOM 22 C LIG 1 10.921 -2.356 0.114 0.00 0.00 +0.000 A ATOM 23 C LIG 1 10.245 -3.523 -0.237 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.852 -3.556 -0.205 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.134 -2.423 0.180 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 -3.117 -0.889 1.395 0.00 0.00 +0.091 C BRANCH 26 27 ATOM 27 C LIG 1 -3.745 0.396 1.951 0.00 0.00 +0.285 C BRANCH 27 29 ATOM 28 O LIG 1 -2.596 1.762 3.628 0.00 0.00 -0.247 OA ATOM 29 C LIG 1 -3.167 0.725 3.321 0.00 0.00 +0.346 C BRANCH 29 30 ATOM 30 O LIG 1 -3.341 -0.240 4.249 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -2.968 0.153 5.065 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 27 29 BRANCH 27 32 ATOM 32 O LIG 1 -5.153 0.222 2.150 0.00 0.00 -0.477 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.004 0.425 1.101 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -7.353 0.241 1.412 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -8.341 0.405 0.436 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -8.004 0.757 -0.879 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -6.645 0.942 -1.177 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -5.654 0.777 -0.200 0.00 0.00 +0.046 A BRANCH 36 39 ATOM 39 C LIG 1 -9.040 0.925 -1.911 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -9.124 2.104 -2.670 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -10.108 2.262 -3.649 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -11.026 1.242 -3.887 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -10.960 0.065 -3.148 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -9.976 -0.092 -2.168 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14