REMARK Name = BDB036367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.675 -0.623 0.732 0.00 0.00 +0.010 A ATOM 2 C LIG 1 -0.440 -1.833 1.357 0.00 0.00 +0.128 A ATOM 3 O LIG 1 -1.349 -2.503 2.138 0.00 0.00 -0.491 OA ATOM 4 C LIG 1 -0.754 -3.810 2.316 0.00 0.00 +0.234 C ATOM 5 C LIG 1 0.753 -3.708 2.090 0.00 0.00 +0.080 C ATOM 6 C LIG 1 0.779 -2.485 1.258 0.00 0.00 -0.002 A ATOM 7 C LIG 1 1.818 -1.950 0.517 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.626 -0.725 -0.151 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.381 -0.070 -0.019 0.00 0.00 +0.012 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.994 0.094 0.842 0.00 0.00 +0.148 C BRANCH 10 22 ATOM 11 C LIG 1 -4.852 -0.607 -0.951 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -5.147 -0.258 0.408 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -5.372 1.067 0.626 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -4.592 2.122 0.183 0.00 0.00 +0.168 A ATOM 15 C LIG 1 -4.940 3.431 0.553 0.00 0.00 +0.055 A ATOM 16 C LIG 1 -6.054 3.638 1.352 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -6.776 2.531 1.760 0.00 0.00 +0.134 A ATOM 18 CL LIG 1 -6.513 5.220 1.827 0.00 0.00 -0.082 Cl ATOM 19 S LIG 1 -3.145 1.922 -0.791 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -2.160 2.850 -0.273 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -3.569 1.988 -2.174 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -2.575 0.371 -0.496 0.00 0.00 -0.168 NA ATOM 23 N LIG 1 -6.454 1.260 1.420 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -3.329 -0.768 -1.088 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -5.440 -2.408 -2.670 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.593 -1.924 -1.237 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 2.787 -0.158 -0.978 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.923 0.363 -0.080 0.00 0.00 -0.034 A ATOM 29 C LIG 1 5.255 -0.126 -0.204 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.629 -1.178 -1.210 0.00 0.00 +0.046 C ATOM 31 C LIG 1 6.230 0.417 0.665 0.00 0.00 +0.116 A ATOM 32 N LIG 1 7.570 0.135 0.775 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 8.080 0.901 1.730 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 7.079 1.655 2.218 0.00 0.00 -0.247 N ATOM 35 C LIG 1 7.356 2.591 3.275 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.891 1.398 1.589 0.00 0.00 +0.089 A ATOM 37 C LIG 1 4.599 1.902 1.724 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.629 1.365 0.873 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 2.432 0.927 -2.013 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 1.521 0.394 -3.083 0.00 0.00 +0.306 C ATOM 41 O LIG 1 1.572 -0.705 -3.610 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 0.604 1.302 -3.468 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 0.070 0.849 -4.153 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8