REMARK Name = BDB024346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.698 -0.514 0.387 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.927 -1.831 1.115 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.449 -1.829 2.419 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.666 -3.028 3.100 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.374 -4.244 2.485 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.870 -4.263 1.186 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.652 -3.065 0.502 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.273 -0.456 -0.243 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.717 -0.270 0.698 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.476 -0.295 1.681 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.097 -0.564 -1.456 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.088 -0.131 0.499 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.783 -0.031 1.650 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 4.128 0.118 1.554 0.00 0.00 +0.137 A ATOM 15 C LIG 1 4.833 0.137 0.355 0.00 0.00 +0.070 A ATOM 16 C LIG 1 4.088 0.075 -0.816 0.00 0.00 +0.029 A ATOM 17 C LIG 1 2.699 -0.073 -0.746 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 6.247 0.369 0.378 0.00 0.00 -0.190 N ATOM 19 S LIG 1 6.700 2.011 0.431 0.00 0.00 +0.114 S ATOM 20 O LIG 1 6.357 2.585 1.707 0.00 0.00 -0.138 OA ATOM 21 O LIG 1 6.332 2.606 -0.833 0.00 0.00 -0.138 OA ATOM 22 N LIG 1 8.363 1.623 0.362 0.00 0.00 -0.165 NA ATOM 23 C LIG 1 8.993 1.418 1.682 0.00 0.00 +0.133 C ATOM 24 C LIG 1 8.501 0.426 -0.532 0.00 0.00 +0.131 C ATOM 25 C LIG 1 7.129 -0.290 -0.615 0.00 0.00 +0.150 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.739 -0.330 -0.650 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.437 -0.887 -1.455 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.873 1.066 -1.092 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.115 1.873 1.017 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.097 1.824 -0.514 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.423 1.328 -1.079 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.943 0.070 -0.742 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.160 -0.368 -1.272 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.877 0.450 -2.148 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.370 1.705 -2.493 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.152 2.140 -1.962 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -9.125 0.003 -2.693 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -10.137 -0.356 -3.134 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9