REMARK Name = BDB049605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.328 -0.311 -0.109 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.580 1.094 -0.233 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.442 1.758 0.209 0.00 0.00 +0.142 A ATOM 4 N LIG 1 -0.258 3.092 0.280 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -1.308 3.824 -0.154 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -2.493 3.280 -0.642 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -1.151 5.317 -0.105 0.00 0.00 +0.065 C ATOM 8 N LIG 1 0.499 0.814 0.548 0.00 0.00 -0.324 N ATOM 9 C LIG 1 -2.643 1.893 -0.691 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.026 -0.454 0.375 0.00 0.00 +0.029 A ATOM 11 C LIG 1 0.741 -1.703 0.654 0.00 0.00 +0.064 C ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 -2.209 -1.428 -0.452 0.00 0.00 +0.195 C ATOM 13 O LIG 1 -1.793 -2.455 -0.982 0.00 0.00 -0.287 OA BRANCH 12 17 ATOM 14 C LIG 1 -6.411 -1.216 0.414 0.00 0.00 +0.120 A ATOM 15 C LIG 1 -5.944 -1.865 -0.733 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.576 -1.931 -1.008 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -3.660 -1.332 -0.138 0.00 0.00 +0.023 A ATOM 18 C LIG 1 -4.122 -0.700 1.024 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -5.495 -0.637 1.293 0.00 0.00 +0.046 A BRANCH 14 21 ATOM 20 C LIG 1 -8.299 -0.602 1.723 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -7.770 -1.223 0.558 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 12 17 ENDBRANCH 1 12 BRANCH 8 22 ATOM 22 C LIG 1 1.832 1.155 1.035 0.00 0.00 +0.158 C BRANCH 22 23 ATOM 23 C LIG 1 2.883 1.036 -0.043 0.00 0.00 -0.024 A ATOM 24 C LIG 1 3.838 0.004 -0.004 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.809 -0.108 -1.001 0.00 0.00 +0.122 A ATOM 26 C LIG 1 4.823 0.819 -2.046 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.886 1.850 -2.096 0.00 0.00 +0.004 A ATOM 28 C LIG 1 2.921 1.959 -1.098 0.00 0.00 +0.005 A BRANCH 25 29 ATOM 29 O LIG 1 5.779 -1.066 -1.089 0.00 0.00 -0.478 OA BRANCH 29 30 ATOM 30 C LIG 1 5.936 -2.007 -0.026 0.00 0.00 +0.278 C ATOM 31 C LIG 1 5.026 -3.208 -0.265 0.00 0.00 +0.064 C BRANCH 30 32 ATOM 32 C LIG 1 7.391 -2.472 -0.016 0.00 0.00 +0.346 C ATOM 33 O LIG 1 8.289 -2.154 -0.779 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 7.659 -3.315 1.008 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 8.614 -3.512 0.893 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 8 22 TORSDOF 9