REMARK Name = BDB046206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.822 1.457 0.840 0.00 0.00 +0.041 A ATOM 2 C LIG 1 0.102 0.448 1.146 0.00 0.00 +0.138 A ATOM 3 C LIG 1 1.062 0.025 0.210 0.00 0.00 +0.106 A ATOM 4 C LIG 1 1.156 0.670 -1.031 0.00 0.00 +0.147 A ATOM 5 O LIG 1 2.124 0.242 -1.901 0.00 0.00 -0.481 OA ATOM 6 C LIG 1 2.523 1.125 -2.970 0.00 0.00 +0.124 C ATOM 7 C LIG 1 1.422 2.044 -3.433 0.00 0.00 +0.020 C ATOM 8 C LIG 1 0.347 2.307 -2.686 0.00 0.00 +0.015 C ATOM 9 C LIG 1 2.942 0.208 -4.124 0.00 0.00 +0.060 C ATOM 10 C LIG 1 3.736 1.935 -2.492 0.00 0.00 +0.060 C ATOM 11 C LIG 1 0.263 1.703 -1.356 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -0.707 2.087 -0.409 0.00 0.00 +0.134 A ENDROOT BRANCH 2 13 ATOM 13 O LIG 1 0.032 -0.124 2.398 0.00 0.00 -0.506 OA ATOM 14 H LIG 1 0.895 -0.582 2.575 0.00 0.00 +0.292 HD ENDBRANCH 2 13 BRANCH 3 15 ATOM 15 C LIG 1 1.957 -1.092 0.590 0.00 0.00 +0.193 C ATOM 16 O LIG 1 2.341 -1.161 1.757 0.00 0.00 -0.287 OA BRANCH 15 17 ATOM 17 C LIG 1 2.183 -2.177 -0.401 0.00 0.00 +0.052 C ATOM 18 C LIG 1 3.308 -2.895 -0.508 0.00 0.00 +0.012 C BRANCH 18 19 ATOM 19 C LIG 1 4.556 -2.675 0.226 0.00 0.00 -0.025 A ATOM 20 C LIG 1 5.314 -1.517 0.003 0.00 0.00 +0.008 A ATOM 21 C LIG 1 6.542 -1.339 0.647 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.014 -2.315 1.522 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.263 -3.467 1.752 0.00 0.00 +0.001 A ATOM 24 C LIG 1 5.037 -3.649 1.106 0.00 0.00 +0.008 A ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 12 25 ATOM 25 O LIG 1 -1.586 3.114 -0.670 0.00 0.00 -0.506 OA ATOM 26 H LIG 1 -1.139 3.748 -1.256 0.00 0.00 +0.292 HD ENDBRANCH 12 25 BRANCH 1 27 ATOM 27 C LIG 1 -1.926 1.828 1.816 0.00 0.00 +0.085 C BRANCH 27 30 ATOM 28 C LIG 1 -5.369 0.460 0.696 0.00 0.00 +0.101 A ATOM 29 C LIG 1 -4.200 1.245 0.772 0.00 0.00 +0.138 A ATOM 30 C LIG 1 -3.166 0.952 1.695 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -3.333 -0.165 2.536 0.00 0.00 +0.130 A ATOM 32 C LIG 1 -4.475 -0.974 2.484 0.00 0.00 +0.034 A ATOM 33 C LIG 1 -4.653 -2.131 3.436 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -5.485 -0.646 1.565 0.00 0.00 +0.137 A BRANCH 28 36 ATOM 35 C LIG 1 -6.415 1.833 -1.290 0.00 0.00 +0.092 C ATOM 36 C LIG 1 -6.495 0.731 -0.267 0.00 0.00 +0.167 C ATOM 37 O LIG 1 -7.496 0.010 -0.226 0.00 0.00 -0.292 OA ENDBRANCH 28 36 BRANCH 29 38 ATOM 38 O LIG 1 -4.094 2.332 -0.054 0.00 0.00 -0.506 OA ATOM 39 H LIG 1 -3.168 2.624 -0.147 0.00 0.00 +0.292 HD ENDBRANCH 29 38 BRANCH 31 40 ATOM 40 O LIG 1 -2.394 -0.497 3.481 0.00 0.00 -0.506 OA ATOM 41 H LIG 1 -1.506 -0.296 3.127 0.00 0.00 +0.292 HD ENDBRANCH 31 40 BRANCH 34 42 ATOM 42 O LIG 1 -6.593 -1.467 1.567 0.00 0.00 -0.506 OA ATOM 43 H LIG 1 -7.226 -1.127 0.895 0.00 0.00 +0.292 HD ENDBRANCH 34 42 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 11