REMARK Name = BDB065392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.497 0.282 1.597 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -4.023 1.165 0.618 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -2.696 1.101 0.184 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -1.810 0.151 0.713 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.287 -0.733 1.690 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.616 -0.670 2.127 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.437 0.111 0.239 0.00 0.00 +0.113 A ATOM 8 N LIG 1 0.090 1.017 -0.650 0.00 0.00 -0.130 NA ATOM 9 N LIG 1 1.356 0.696 -0.875 0.00 0.00 -0.065 NA ATOM 10 N LIG 1 1.630 -0.390 -0.136 0.00 0.00 -0.251 N ATOM 11 C LIG 1 0.540 -0.801 0.574 0.00 0.00 +0.138 A BRANCH 10 12 ATOM 12 C LIG 1 2.944 -0.990 -0.173 0.00 0.00 +0.145 C BRANCH 12 13 ATOM 13 C LIG 1 3.835 -0.577 0.999 0.00 0.00 +0.024 C BRANCH 13 14 ATOM 14 C LIG 1 4.167 0.919 1.083 0.00 0.00 +0.006 C BRANCH 14 15 ATOM 15 C LIG 1 4.874 1.511 -0.143 0.00 0.00 +0.035 C BRANCH 15 16 ATOM 16 C LIG 1 6.195 0.857 -0.471 0.00 0.00 -0.047 A ATOM 17 C LIG 1 7.265 0.913 0.432 0.00 0.00 +0.004 A ATOM 18 C LIG 1 8.486 0.305 0.126 0.00 0.00 +0.015 A ATOM 19 C LIG 1 8.653 -0.362 -1.093 0.00 0.00 +0.059 A ATOM 20 C LIG 1 7.593 -0.413 -2.004 0.00 0.00 +0.015 A ATOM 21 C LIG 1 6.373 0.196 -1.694 0.00 0.00 +0.004 A BRANCH 19 22 ATOM 22 C LIG 1 9.966 -0.993 -1.374 0.00 0.00 +0.337 C ATOM 23 O LIG 1 10.931 -0.992 -0.633 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 10.008 -1.600 -2.574 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 10.919 -1.958 -2.622 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.932 0.347 2.053 0.00 0.00 +0.159 C BRANCH 26 31 ATOM 27 C LIG 1 -9.191 -0.265 -1.475 0.00 0.00 +0.147 A ATOM 28 C LIG 1 -8.298 -0.656 -0.463 0.00 0.00 +0.147 A ATOM 29 N LIG 1 -7.946 -1.892 0.045 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 -7.059 -1.627 0.982 0.00 0.00 +0.202 A ATOM 31 N LIG 1 -6.820 -0.283 1.096 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -7.604 0.358 0.178 0.00 0.00 +0.166 A ATOM 33 N LIG 1 -7.686 1.677 -0.060 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 -8.562 1.929 -1.055 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -9.299 1.050 -1.769 0.00 0.00 -0.219 NA BRANCH 27 36 ATOM 36 N LIG 1 -9.956 -1.167 -2.205 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -9.584 -2.110 -2.187 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -10.233 -0.787 -3.100 0.00 0.00 +0.144 HD ENDBRANCH 27 36 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 11