REMARK Name = BDB036328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.952 -0.490 -1.402 0.00 0.00 -0.017 A ATOM 2 C LIG 1 0.405 -0.082 -2.645 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.877 0.470 -2.741 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -1.208 0.811 -4.096 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.201 0.519 -4.982 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.640 0.621 -1.558 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -1.138 0.218 -0.311 0.00 0.00 -0.039 A ATOM 8 S LIG 1 1.150 -0.163 -4.205 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.146 -0.329 -0.254 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.346 -1.067 -1.255 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 4.488 0.898 0.612 0.00 0.00 +0.191 C ATOM 12 O LIG 1 4.339 -0.411 1.168 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 5.239 -1.327 0.718 0.00 0.00 +0.242 A ATOM 14 C LIG 1 5.589 -1.563 -0.602 0.00 0.00 +0.168 A ATOM 15 C LIG 1 6.499 -2.592 -0.892 0.00 0.00 +0.055 A ATOM 16 C LIG 1 7.024 -3.347 0.146 0.00 0.00 +0.061 A ATOM 17 C LIG 1 6.615 -3.056 1.434 0.00 0.00 +0.134 A ATOM 18 CL LIG 1 8.141 -4.610 -0.165 0.00 0.00 -0.082 Cl ATOM 19 S LIG 1 4.920 -0.678 -1.966 0.00 0.00 +0.066 S ATOM 20 O LIG 1 4.671 -1.656 -3.004 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 5.807 0.442 -2.195 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 3.427 -0.071 -1.464 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 5.732 -2.073 1.735 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 3.456 1.077 -0.512 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 3.023 1.798 2.545 0.00 0.00 +0.007 C ATOM 26 C LIG 1 4.311 1.931 1.741 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 -1.932 0.420 0.980 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -3.441 0.125 0.850 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -3.901 -1.215 0.646 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -2.955 -2.384 0.550 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -5.295 -1.432 0.516 0.00 0.00 +0.117 A ATOM 32 N LIG 1 -5.983 -2.600 0.311 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 -7.275 -2.320 0.256 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 -7.410 -0.993 0.421 0.00 0.00 -0.246 N ATOM 35 C LIG 1 -8.729 -0.413 0.399 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -6.196 -0.376 0.593 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -5.770 0.936 0.802 0.00 0.00 +0.079 A ATOM 38 C LIG 1 -4.391 1.163 0.929 0.00 0.00 +0.025 A BRANCH 37 39 ATOM 39 C LIG 1 -6.716 2.001 0.884 0.00 0.00 +0.101 C ATOM 40 N LIG 1 -7.516 2.839 0.953 0.00 0.00 -0.191 NA ENDBRANCH 37 39 ENDBRANCH 27 28 BRANCH 27 41 ATOM 41 C LIG 1 -1.506 1.726 1.686 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 -1.391 2.922 0.776 0.00 0.00 +0.306 C ATOM 43 O LIG 1 -2.296 3.469 0.170 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -0.128 3.382 0.677 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -0.196 4.129 0.044 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 27 41 ENDBRANCH 7 27 TORSDOF 9