REMARK Name = BDB013499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.003 -3.379 1.093 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.583 -3.055 0.724 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.226 -2.381 -0.459 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.138 -2.113 -0.688 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.151 -2.442 0.237 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.767 -3.079 1.415 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.577 -3.386 1.649 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.230 -1.853 -1.469 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 -2.690 -0.490 -1.126 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 -2.019 0.801 -1.984 0.00 0.00 +0.066 S ATOM 11 O LIG 1 -3.005 1.261 -2.939 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -0.695 0.421 -2.426 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -1.828 2.053 -0.766 0.00 0.00 +0.165 A ATOM 14 C LIG 1 -2.615 2.185 0.373 0.00 0.00 +0.150 A ATOM 15 C LIG 1 -2.261 3.153 1.316 0.00 0.00 +0.067 A ATOM 16 C LIG 1 -1.170 3.968 1.071 0.00 0.00 +0.114 A ATOM 17 N LIG 1 -0.402 3.871 -0.031 0.00 0.00 -0.261 NA ATOM 18 O LIG 1 -3.706 1.451 0.742 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 -4.555 1.010 -0.323 0.00 0.00 +0.186 C ATOM 20 C LIG 1 -5.976 0.964 0.236 0.00 0.00 +0.053 C ATOM 21 C LIG 1 -0.741 2.902 -0.921 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -4.133 -0.392 -0.787 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.586 -2.022 -0.103 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 2.769 -0.499 -0.180 0.00 0.00 -0.034 A ATOM 25 C LIG 1 3.448 0.113 -1.274 0.00 0.00 -0.017 A ATOM 26 C LIG 1 4.037 -0.686 -2.404 0.00 0.00 +0.046 C ATOM 27 C LIG 1 3.520 1.527 -1.289 0.00 0.00 +0.116 A ATOM 28 N LIG 1 4.086 2.375 -2.212 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 3.891 3.623 -1.808 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 3.207 3.566 -0.649 0.00 0.00 -0.247 N ATOM 31 C LIG 1 2.821 4.790 -0.000 0.00 0.00 +0.175 C ATOM 32 C LIG 1 2.959 2.276 -0.264 0.00 0.00 +0.089 A ATOM 33 C LIG 1 2.311 1.703 0.827 0.00 0.00 +0.030 A ATOM 34 C LIG 1 2.227 0.308 0.843 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 3.742 -2.745 0.614 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 3.916 -2.475 2.089 0.00 0.00 +0.306 C ATOM 37 O LIG 1 4.087 -1.379 2.595 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 3.922 -3.605 2.842 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.834 -4.443 2.343 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 7