REMARK Name = BDB045933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 -0.562 2.414 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.222 -0.747 1.185 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.618 -0.623 1.080 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.365 -0.337 2.230 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.731 -0.184 3.464 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.343 -0.296 3.556 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 1.365 -1.020 3.628 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.906 -0.655 2.552 0.00 0.00 +0.248 C ATOM 9 N LIG 1 1.627 -0.278 1.431 0.00 0.00 -0.282 N ATOM 10 H LIG 1 1.105 0.095 0.648 0.00 0.00 +0.155 HD BRANCH 9 11 ATOM 11 C LIG 1 3.028 -0.292 1.266 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.528 0.168 0.040 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.904 0.183 -0.214 0.00 0.00 +0.015 A ATOM 14 C LIG 1 5.798 -0.273 0.760 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.305 -0.717 1.990 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.927 -0.733 2.238 0.00 0.00 +0.024 A BRANCH 14 17 ATOM 17 C LIG 1 7.270 -0.278 0.539 0.00 0.00 +0.244 C ATOM 18 N LIG 1 7.685 -0.481 -0.765 0.00 0.00 -0.308 N ATOM 19 H LIG 1 7.008 -0.780 -1.454 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 8.034 -0.137 1.488 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 9.069 -0.557 -1.112 0.00 0.00 +0.073 C ATOM 22 C LIG 1 9.500 -0.532 -2.553 0.00 0.00 +0.024 C ATOM 23 C LIG 1 9.780 0.645 -1.667 0.00 0.00 +0.024 C ENDBRANCH 18 21 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 -3.285 -0.753 -0.268 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 N LIG 1 -3.192 0.482 -1.022 0.00 0.00 -0.257 N ATOM 26 C LIG 1 -4.098 1.593 -0.868 0.00 0.00 +0.121 C ATOM 27 C LIG 1 -3.205 2.747 -1.298 0.00 0.00 +0.256 C ATOM 28 O LIG 1 -2.202 2.151 -2.131 0.00 0.00 -0.448 OA ATOM 29 C LIG 1 -2.103 0.835 -1.776 0.00 0.00 +0.404 C ATOM 30 O LIG 1 -1.158 0.123 -2.075 0.00 0.00 -0.226 OA BRANCH 26 31 ATOM 31 C LIG 1 -5.330 1.500 -1.789 0.00 0.00 +0.061 C BRANCH 31 32 ATOM 32 C LIG 1 -6.344 0.472 -1.344 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -6.520 -0.712 -2.073 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -7.444 -1.670 -1.653 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.203 -1.452 -0.505 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.042 -0.275 0.223 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.118 0.684 -0.195 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 8