REMARK Name = BDB061272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.927 -3.434 -0.402 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -4.171 -2.506 -0.144 0.00 0.00 +0.197 A ATOM 3 C LIG 1 -3.024 -2.582 0.791 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -2.261 -1.423 1.002 0.00 0.00 +0.151 A ATOM 5 C LIG 1 -1.147 -1.414 1.876 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -0.847 -2.608 2.548 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -1.595 -3.767 2.341 0.00 0.00 +0.092 A ATOM 8 O LIG 1 -2.558 -0.232 0.375 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -3.594 -0.179 -0.534 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -2.678 -3.757 1.465 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.397 -1.212 -0.809 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -3.764 1.141 -1.176 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.563 2.314 -0.431 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.700 3.571 -1.026 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -4.033 3.664 -2.370 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -4.228 2.520 -3.134 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.090 1.262 -2.537 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -4.157 4.909 -2.910 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -4.401 4.822 -3.846 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 0.172 -2.744 3.449 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 0.576 -1.884 3.640 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 -3.385 -4.910 1.285 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -3.022 -5.620 1.837 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.338 -0.143 2.063 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 0.836 0.040 1.210 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 0.534 0.328 -0.200 0.00 0.00 +0.100 C ATOM 27 C LIG 1 1.772 0.334 -1.139 0.00 0.00 +0.100 C ATOM 28 N LIG 1 3.039 0.535 -0.423 0.00 0.00 -0.293 NA ATOM 29 C LIG 1 3.211 -0.520 0.598 0.00 0.00 +0.100 C ATOM 30 C LIG 1 1.908 -0.943 1.336 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 4.173 0.586 -1.357 0.00 0.00 +0.158 C BRANCH 31 32 ATOM 32 C LIG 1 5.443 1.000 -0.694 0.00 0.00 +0.119 A ATOM 33 O LIG 1 6.481 0.113 -0.745 0.00 0.00 -0.467 OA ATOM 34 C LIG 1 7.523 0.686 -0.089 0.00 0.00 +0.195 A ATOM 35 C LIG 1 7.172 1.928 0.384 0.00 0.00 +0.041 A ATOM 36 C LIG 1 5.828 2.133 -0.006 0.00 0.00 +0.046 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8