REMARK Name = BDB024676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.716 0.746 -0.989 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.686 -0.180 -1.236 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.925 -1.331 -2.142 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.887 -2.352 -1.506 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.663 -2.099 -2.564 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.516 -1.147 -2.814 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.255 -0.414 -1.531 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.944 -0.147 -1.082 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.251 -0.500 -1.655 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.192 -0.021 -0.871 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.642 0.637 0.215 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.733 0.565 0.093 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.795 1.032 0.870 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.094 0.769 0.414 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.346 0.065 -0.772 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.634 1.758 -0.300 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.380 1.304 1.285 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.155 0.660 2.665 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -1.255 1.665 3.815 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -2.345 2.699 3.560 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.081 3.521 2.298 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -1.165 2.823 1.291 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -1.538 0.950 5.011 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -1.536 1.588 5.746 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 7.940 1.355 -1.459 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.869 0.430 -1.653 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.658 -0.192 -1.130 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -3.230 -1.389 -0.355 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.741 -1.288 -0.200 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.592 -1.202 -1.313 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.974 -1.097 -1.145 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.523 -1.077 0.134 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.692 -1.166 1.248 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.310 -1.272 1.084 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.811 -2.679 -1.037 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -3.136 -3.066 -2.149 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.990 -3.429 -0.272 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.756 -4.182 -0.854 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8