REMARK Name = BDB021575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.042 3.554 3.273 0.00 0.00 +0.057 C ATOM 2 C LIG 1 1.530 2.401 2.381 0.00 0.00 +0.121 C ATOM 3 O LIG 1 2.324 3.031 1.354 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 2.482 2.331 0.194 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.444 2.081 -0.704 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.726 1.463 -1.929 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.033 1.082 -2.243 0.00 0.00 +0.006 A ATOM 8 C LIG 1 4.082 1.322 -1.345 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.039 2.472 -0.433 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.655 2.877 -1.364 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.454 2.296 0.855 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.794 1.978 -0.138 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.317 1.586 1.874 0.00 0.00 +0.155 C ATOM 14 C LIG 1 2.450 1.494 3.212 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 5.506 0.933 -1.693 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 6.019 -0.383 -1.297 0.00 0.00 -0.297 NA ATOM 17 C LIG 1 5.876 -0.712 0.141 0.00 0.00 +0.097 C ATOM 18 C LIG 1 5.425 -2.074 -0.296 0.00 0.00 +0.043 C ATOM 19 C LIG 1 4.367 -2.804 0.451 0.00 0.00 +0.171 C ATOM 20 O LIG 1 5.265 -3.939 0.638 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 6.318 -3.254 -0.107 0.00 0.00 +0.171 C ATOM 22 C LIG 1 5.167 -1.537 -1.673 0.00 0.00 +0.097 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 23 ATOM 23 C LIG 1 -1.856 2.615 1.139 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 -2.840 1.437 0.993 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 -2.568 0.425 1.977 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 -3.003 -0.379 1.622 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -2.846 0.787 -0.407 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 -3.734 -0.406 -0.453 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 -5.161 -0.013 -0.417 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.118 -1.161 -0.666 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -5.689 -2.335 -1.310 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.601 -3.370 -1.553 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.938 -3.232 -1.184 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.372 -2.063 -0.565 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.238 -2.500 -1.677 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.468 -1.031 -0.309 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -3.480 -1.166 -1.692 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 11 23 TORSDOF 7