REMARK Name = BDB024632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.655 0.690 -0.768 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.545 -0.175 -0.782 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.765 -1.609 -1.065 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.091 -2.379 0.220 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.607 -2.219 -1.847 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.313 -2.077 -1.079 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.115 -0.666 -0.602 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.810 -0.239 -0.259 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.360 -0.953 -0.308 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.312 -0.137 0.091 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.788 1.102 0.417 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.575 1.050 0.196 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.613 1.968 0.341 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.908 1.537 0.012 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.195 0.245 -0.459 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.636 1.909 -0.641 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.551 2.241 0.908 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -1.156 2.663 2.329 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.988 3.736 2.785 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -1.862 4.901 1.969 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.322 4.609 0.546 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.542 3.440 -0.051 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.001 0.846 -0.930 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.837 0.018 -0.930 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.767 -0.494 0.180 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.062 -1.926 -0.303 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.484 -2.345 0.048 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.599 -1.650 -0.448 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.893 -2.044 -0.106 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.091 -3.138 0.734 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.995 -3.840 1.230 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.699 -3.447 0.889 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.784 -2.122 -1.784 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.448 -3.170 -2.318 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.027 -1.037 -2.551 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -2.788 -1.350 -3.449 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7