REMARK Name = BDB061250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.058 -1.757 -0.082 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -3.431 -1.444 -0.041 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -4.362 -2.378 0.424 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -5.782 -2.001 0.453 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -6.130 -0.655 -0.019 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -5.152 0.149 -0.455 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -6.642 -2.779 0.853 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -3.943 -3.644 0.840 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.596 -3.979 0.792 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -3.812 -0.195 -0.477 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.671 -3.043 0.336 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.429 1.515 -0.936 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.611 2.580 -0.528 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.851 3.878 -0.984 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.906 4.118 -1.854 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.727 3.081 -2.280 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -6.486 1.781 -1.822 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -6.103 5.400 -2.274 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.874 5.421 -2.864 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -4.804 -4.603 1.301 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -5.716 -4.236 1.282 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.361 -3.439 0.323 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.184 -2.630 0.198 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.062 -0.766 -0.656 0.00 0.00 +0.127 C BRANCH 24 29 ATOM 25 C LIG 1 3.976 -0.210 1.816 0.00 0.00 +0.247 C ATOM 26 N LIG 1 2.722 -0.123 1.220 0.00 0.00 -0.295 N ATOM 27 C LIG 1 2.446 0.531 -0.059 0.00 0.00 +0.123 C ATOM 28 C LIG 1 1.288 -0.146 -0.827 0.00 0.00 +0.104 C ATOM 29 N LIG 1 0.254 -0.797 0.015 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 0.211 -0.168 1.352 0.00 0.00 +0.104 C ATOM 31 C LIG 1 1.559 -0.328 2.085 0.00 0.00 +0.123 C ATOM 32 O LIG 1 4.139 -0.392 3.020 0.00 0.00 -0.270 OA BRANCH 25 36 ATOM 33 C LIG 1 7.509 0.113 -0.570 0.00 0.00 +0.120 A ATOM 34 C LIG 1 6.536 -0.842 -0.883 0.00 0.00 +0.046 A ATOM 35 C LIG 1 5.377 -0.957 -0.113 0.00 0.00 +0.016 A ATOM 36 C LIG 1 5.182 -0.094 0.968 0.00 0.00 +0.037 A ATOM 37 C LIG 1 6.160 0.846 1.304 0.00 0.00 +0.016 A ATOM 38 C LIG 1 7.320 0.954 0.529 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 9.642 1.023 -1.096 0.00 0.00 +0.277 C ATOM 40 O LIG 1 8.591 0.117 -1.407 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 25 36 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 8