REMARK Name = BDB053018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.935 -0.977 -0.145 0.00 0.00 -0.016 A ATOM 2 C LIG 1 0.953 -0.079 0.303 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -0.404 -0.451 0.437 0.00 0.00 -0.022 A ATOM 4 C LIG 1 -0.789 -1.774 0.134 0.00 0.00 -0.010 A ATOM 5 C LIG 1 0.195 -2.673 -0.313 0.00 0.00 +0.009 A ATOM 6 C LIG 1 1.529 -2.281 -0.453 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.971 0.253 -0.483 0.00 0.00 +0.215 A ATOM 8 N LIG 1 5.307 0.538 0.655 0.00 0.00 -0.221 NA ATOM 9 C LIG 1 4.016 0.127 0.721 0.00 0.00 +0.123 A ATOM 10 C LIG 1 3.339 -0.561 -0.289 0.00 0.00 +0.000 A ATOM 11 C LIG 1 4.076 -0.832 -1.449 0.00 0.00 +0.015 A ATOM 12 C LIG 1 5.405 -0.422 -1.550 0.00 0.00 +0.068 A BRANCH 7 13 ATOM 13 O LIG 1 7.288 0.638 -0.632 0.00 0.00 -0.477 OA BRANCH 13 15 ATOM 14 C LIG 1 9.245 1.703 0.212 0.00 0.00 +0.048 C ATOM 15 C LIG 1 7.802 1.334 0.504 0.00 0.00 +0.227 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 16 ATOM 16 C LIG 1 -2.173 -2.259 0.290 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -3.060 -2.365 -0.803 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -4.366 -2.819 -0.589 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -4.798 -3.169 0.694 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -3.931 -3.080 1.786 0.00 0.00 -0.036 A ATOM 21 C LIG 1 -2.624 -2.625 1.573 0.00 0.00 +0.016 A BRANCH 17 22 ATOM 22 O LIG 1 -2.562 -1.994 -2.026 0.00 0.00 -0.495 OA ATOM 23 C LIG 1 -3.432 -2.077 -3.147 0.00 0.00 +0.277 C ENDBRANCH 17 22 BRANCH 20 24 ATOM 24 C LIG 1 -4.404 -3.429 3.177 0.00 0.00 +0.155 C BRANCH 24 25 ATOM 25 C LIG 1 -5.016 -2.265 3.917 0.00 0.00 +0.309 C ATOM 26 O LIG 1 -5.245 -1.141 3.502 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -5.336 -2.591 5.188 0.00 0.00 -0.480 OA ATOM 28 H LIG 1 -5.715 -1.764 5.554 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 16 BRANCH 3 29 ATOM 29 C LIG 1 -1.393 0.598 0.912 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 N LIG 1 -1.438 1.766 0.029 0.00 0.00 -0.297 N ATOM 31 C LIG 1 -0.936 2.972 0.505 0.00 0.00 +0.219 C ATOM 32 O LIG 1 -0.425 3.108 1.611 0.00 0.00 -0.275 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.027 4.155 -0.398 0.00 0.00 +0.075 C ATOM 34 C LIG 1 -0.015 5.276 -0.284 0.00 0.00 +0.013 C ATOM 35 C LIG 1 0.016 4.367 -1.474 0.00 0.00 +0.013 C ENDBRANCH 31 33 BRANCH 30 36 ATOM 36 C LIG 1 -2.097 1.602 -1.268 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -3.608 1.739 -1.165 0.00 0.00 +0.024 C ENDBRANCH 30 36 ENDBRANCH 29 30 ENDBRANCH 3 29 TORSDOF 12