REMARK Name = BDB024874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.611 -0.770 -0.172 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.455 -1.486 0.181 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.582 -2.958 0.237 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.410 -3.400 1.454 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.250 -3.726 0.269 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.212 -3.040 -0.592 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.020 -1.657 -0.042 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.742 -1.076 0.090 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.480 -1.616 -0.210 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.374 -0.694 0.075 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.762 0.444 0.575 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.600 0.213 0.593 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.706 0.968 0.994 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.974 0.386 0.853 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.153 -0.900 0.328 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.720 -1.287 -0.290 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.448 1.657 1.017 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.302 1.899 2.528 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -2.125 3.112 2.972 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -1.726 4.352 2.160 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -1.849 4.128 0.652 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -1.065 2.899 0.196 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -3.522 2.885 2.752 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.138 2.103 3.767 0.00 0.00 +0.194 C ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.565 1.267 -0.853 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.400 0.550 -0.444 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.852 -0.880 -0.106 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.375 -0.221 -1.396 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.981 -0.965 -2.663 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.494 -2.239 -2.955 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.118 -2.906 -4.122 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -2.224 -2.312 -5.009 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.702 -1.051 -4.729 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.077 -0.381 -3.563 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.879 -0.064 -1.289 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.655 -0.799 -0.699 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -5.340 1.024 -1.942 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -6.312 0.979 -1.830 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8