REMARK Name = BDB006373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.213 -3.515 -1.015 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.072 -2.252 -0.279 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.731 -1.069 -0.280 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.095 -0.123 0.526 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.626 1.165 0.717 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.831 1.487 0.085 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.498 0.554 -0.709 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.059 -0.714 1.012 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.948 -0.721 -0.909 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.163 -2.010 0.543 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.300 -2.912 0.892 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.780 0.961 -1.348 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.691 -0.046 -1.576 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.544 -0.947 -1.143 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.987 2.140 -1.612 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.026 0.230 -2.058 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 7.053 -0.135 -1.017 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.173 0.631 0.153 0.00 0.00 +0.010 A ATOM 19 C LIG 1 8.113 0.303 1.142 0.00 0.00 -0.033 A ATOM 20 C LIG 1 8.929 -0.820 0.954 0.00 0.00 +0.005 A ATOM 21 C LIG 1 8.818 -1.589 -0.205 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.885 -1.249 -1.186 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 8.218 1.132 2.395 0.00 0.00 +0.113 C BRANCH 23 24 ATOM 24 N LIG 1 7.144 0.818 3.328 0.00 0.00 -0.326 NA ATOM 25 H LIG 1 7.307 1.308 4.204 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 7.171 -0.178 3.539 0.00 0.00 +0.119 HD ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -1.998 -0.069 1.932 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.289 0.347 1.268 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.300 1.112 0.094 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.507 1.506 -0.491 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.736 1.155 0.085 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.722 0.405 1.270 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.516 0.009 1.856 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.005 1.574 -0.528 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.930 0.667 -1.084 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.166 1.106 -1.582 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.484 2.463 -1.564 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.573 3.379 -1.045 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.350 2.939 -0.530 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.665 -0.781 -1.161 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.390 -1.661 -0.738 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.540 -1.039 -1.848 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -6.463 -2.014 -1.844 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10