REMARK Name = BDB049757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.053 1.663 -1.387 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.266 1.538 -0.015 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.795 1.705 0.883 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.088 1.993 0.424 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -2.294 2.117 -0.957 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.233 1.950 -1.850 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 0.990 1.522 -2.372 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.355 1.331 -1.991 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.662 -0.153 -1.804 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 5.289 -1.227 -3.627 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.131 -0.823 -2.220 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.082 -0.384 -1.442 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.527 -0.149 -0.161 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.811 -0.456 -0.198 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.245 -0.876 -1.430 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.803 -0.407 0.872 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.416 0.004 2.157 0.00 0.00 +0.013 A ATOM 18 C LIG 1 7.343 0.061 3.201 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.671 -0.293 2.973 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.073 -0.704 1.704 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.145 -0.761 0.660 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.232 2.172 1.397 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 -4.059 0.926 1.308 0.00 0.00 +0.082 A ATOM 24 C LIG 1 -3.844 -0.329 1.937 0.00 0.00 +0.100 A ATOM 25 C LIG 1 -4.896 -1.111 1.494 0.00 0.00 +0.129 A ATOM 26 N LIG 1 -5.673 -0.332 0.663 0.00 0.00 -0.239 N ATOM 27 N LIG 1 -5.168 0.919 0.555 0.00 0.00 -0.170 NA BRANCH 26 28 ATOM 28 C LIG 1 -6.863 -0.700 -0.027 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -7.400 -1.991 0.079 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -8.569 -2.322 -0.614 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -9.207 -1.374 -1.411 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.680 -0.089 -1.521 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.513 0.249 -0.833 0.00 0.00 +0.028 A ENDBRANCH 26 28 BRANCH 24 34 ATOM 34 C LIG 1 -2.782 -0.697 2.857 0.00 0.00 +0.340 C ATOM 35 O LIG 1 -2.146 0.113 3.514 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.540 -2.030 2.947 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -3.028 -2.545 2.281 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10