REMARK Name = BDB041415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.287 0.672 0.519 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.012 0.201 1.824 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.126 -0.604 2.078 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.221 -0.958 3.467 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.206 -0.429 4.225 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.971 -0.948 0.996 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.716 -0.501 -0.313 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -0.870 0.496 3.285 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.595 0.305 -0.524 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.491 1.541 0.199 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -4.117 -1.177 -0.408 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.409 -0.586 -0.633 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -5.872 0.226 0.359 0.00 0.00 +0.144 A ATOM 14 C LIG 1 -5.192 1.327 0.882 0.00 0.00 +0.100 A ATOM 15 N LIG 1 -5.721 2.097 1.879 0.00 0.00 -0.213 NA ATOM 16 C LIG 1 -6.939 1.755 2.325 0.00 0.00 +0.213 A ATOM 17 C LIG 1 -7.702 0.718 1.847 0.00 0.00 +0.070 A ATOM 18 C LIG 1 -3.882 1.811 0.302 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.775 0.836 0.354 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -7.155 -0.056 0.832 0.00 0.00 +0.053 A ATOM 21 C LIG 1 -2.959 -0.195 -0.683 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -4.935 -3.116 1.030 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -3.968 -1.945 0.923 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 16 24 ATOM 24 O LIG 1 -7.401 2.550 3.319 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -6.634 3.142 3.423 0.00 0.00 +0.294 HD ENDBRANCH 16 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.693 -0.908 -1.423 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 4.029 -0.146 -1.312 0.00 0.00 -0.032 A ATOM 28 C LIG 1 5.241 -0.762 -1.164 0.00 0.00 -0.002 A ATOM 29 C LIG 1 5.368 -2.270 -1.119 0.00 0.00 +0.048 C ATOM 30 C LIG 1 6.413 0.068 -1.055 0.00 0.00 +0.164 A ATOM 31 N LIG 1 6.269 1.442 -1.105 0.00 0.00 -0.286 N ATOM 32 C LIG 1 7.543 1.946 -0.970 0.00 0.00 +0.135 A ATOM 33 N LIG 1 8.396 0.949 -0.853 0.00 0.00 -0.134 NA ATOM 34 C LIG 1 7.870 3.388 -0.961 0.00 0.00 +0.088 C ATOM 35 C LIG 1 5.046 2.074 -1.264 0.00 0.00 +0.095 A ATOM 36 N LIG 1 7.688 -0.228 -0.906 0.00 0.00 -0.129 NA ATOM 37 C LIG 1 3.939 1.324 -1.371 0.00 0.00 +0.023 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 2.164 -0.822 -2.866 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 1.067 -1.821 -3.098 0.00 0.00 +0.306 C ATOM 40 O LIG 1 1.121 -3.021 -2.888 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -0.046 -1.265 -3.614 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -0.646 -2.030 -3.749 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9