REMARK Name = BDB059930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.252 0.462 0.099 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -1.433 0.037 -0.943 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.496 0.915 -1.490 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.395 2.232 -1.021 0.00 0.00 -0.044 A ATOM 5 C LIG 1 -1.255 2.658 0.001 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.191 1.779 0.547 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -3.211 -0.369 0.602 0.00 0.00 -0.477 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.810 -1.234 1.696 0.00 0.00 +0.181 C ATOM 9 C LIG 1 -1.856 -2.341 1.234 0.00 0.00 +0.065 C ATOM 10 C LIG 1 -2.241 -0.465 2.896 0.00 0.00 +0.065 C BRANCH 8 13 ATOM 11 N LIG 1 -5.258 -1.600 1.436 0.00 0.00 -0.182 N ATOM 12 H LIG 1 -5.151 -0.942 0.666 0.00 0.00 +0.177 HD ATOM 13 C LIG 1 -4.109 -1.930 2.178 0.00 0.00 +0.275 C ATOM 14 O LIG 1 -4.133 -2.705 3.125 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 S LIG 1 -6.777 -2.162 1.779 0.00 0.00 +0.074 S ATOM 16 O LIG 1 -6.827 -3.579 1.495 0.00 0.00 -0.150 OA ATOM 17 O LIG 1 -7.206 -1.606 3.043 0.00 0.00 -0.150 OA BRANCH 15 22 ATOM 18 C LIG 1 -9.985 0.650 -2.546 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -9.169 -0.037 -1.490 0.00 0.00 -0.050 A ATOM 20 C LIG 1 -8.685 -1.336 -1.700 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -7.955 -1.989 -0.706 0.00 0.00 +0.029 A ATOM 22 C LIG 1 -7.711 -1.337 0.506 0.00 0.00 +0.109 A ATOM 23 C LIG 1 -8.209 -0.053 0.740 0.00 0.00 +0.029 A ATOM 24 C LIG 1 -8.938 0.593 -0.260 0.00 0.00 +0.005 A ENDBRANCH 15 22 ENDBRANCH 11 15 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 0.633 3.175 -1.604 0.00 0.00 +0.076 C BRANCH 25 26 ATOM 26 C LIG 1 2.019 2.995 -0.979 0.00 0.00 +0.233 C BRANCH 26 27 ATOM 27 O LIG 1 2.614 1.801 -1.496 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 3.836 1.447 -0.998 0.00 0.00 +0.121 A ATOM 29 C LIG 1 4.322 0.222 -1.460 0.00 0.00 +0.048 A ATOM 30 C LIG 1 5.560 -0.261 -1.029 0.00 0.00 +0.033 A ATOM 31 C LIG 1 6.340 0.481 -0.135 0.00 0.00 +0.086 A ATOM 32 C LIG 1 5.845 1.704 0.330 0.00 0.00 +0.033 A ATOM 33 C LIG 1 4.604 2.189 -0.100 0.00 0.00 +0.048 A BRANCH 31 34 ATOM 34 N LIG 1 7.575 0.013 0.351 0.00 0.00 -0.149 NA ATOM 35 N LIG 1 8.368 -0.212 -0.589 0.00 0.00 -0.149 NA BRANCH 35 36 ATOM 36 C LIG 1 9.600 -0.682 -0.097 0.00 0.00 +0.086 A ATOM 37 C LIG 1 10.767 0.037 -0.375 0.00 0.00 +0.029 A ATOM 38 C LIG 1 12.008 -0.419 0.074 0.00 0.00 +0.002 A ATOM 39 C LIG 1 12.093 -1.606 0.800 0.00 0.00 +0.000 A ATOM 40 C LIG 1 10.940 -2.339 1.073 0.00 0.00 +0.002 A ATOM 41 C LIG 1 9.700 -1.881 0.623 0.00 0.00 +0.029 A ENDBRANCH 35 36 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11