REMARK Name = BDB033634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.592 -1.355 -1.734 0.00 0.00 -0.004 A ATOM 2 C LIG 1 0.390 0.022 -1.837 0.00 0.00 +0.164 A ATOM 3 F LIG 1 1.381 0.803 -2.291 0.00 0.00 -0.202 F ATOM 4 C LIG 1 -0.828 0.607 -1.486 0.00 0.00 +0.180 A ATOM 5 F LIG 1 -0.957 1.931 -1.670 0.00 0.00 -0.200 F ATOM 6 C LIG 1 -1.903 -0.158 -1.009 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -1.693 -1.554 -0.894 0.00 0.00 +0.061 A ATOM 8 C LIG 1 -0.466 -2.142 -1.264 0.00 0.00 +0.021 A ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.790 -2.433 -0.405 0.00 0.00 +0.243 C ATOM 10 O LIG 1 -3.965 -2.176 -0.631 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -2.434 -3.525 0.339 0.00 0.00 -0.325 N ATOM 12 H LIG 1 -1.537 -3.581 0.801 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 -3.202 -4.020 0.776 0.00 0.00 +0.145 HD ENDBRANCH 7 9 BRANCH 6 14 ATOM 14 N LIG 1 -3.130 0.406 -0.595 0.00 0.00 -0.309 N ATOM 15 H LIG 1 -3.924 -0.243 -0.680 0.00 0.00 +0.152 HD BRANCH 14 16 ATOM 16 C LIG 1 -3.504 1.656 -0.066 0.00 0.00 +0.068 A ATOM 17 C LIG 1 -4.853 2.051 -0.153 0.00 0.00 +0.153 A ATOM 18 F LIG 1 -5.737 1.205 -0.712 0.00 0.00 -0.203 F ATOM 19 C LIG 1 -5.313 3.299 0.326 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -4.375 4.156 0.903 0.00 0.00 +0.022 A ATOM 21 S LIG 1 -5.107 5.624 1.430 0.00 0.00 -0.097 S ATOM 22 C LIG 1 -6.652 5.133 0.900 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -3.020 3.793 1.006 0.00 0.00 +0.017 A ATOM 24 C LIG 1 -6.626 3.880 0.333 0.00 0.00 +0.019 A ATOM 25 C LIG 1 -2.606 2.546 0.517 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 6 14 BRANCH 1 26 ATOM 26 C LIG 1 1.913 -1.970 -2.124 0.00 0.00 +0.076 C BRANCH 26 30 ATOM 27 C LIG 1 4.103 -2.105 0.969 0.00 0.00 +0.175 A ATOM 28 C LIG 1 3.384 -1.596 -0.109 0.00 0.00 +0.168 A ATOM 29 F LIG 1 3.313 -0.278 -0.342 0.00 0.00 -0.202 F ATOM 30 C LIG 1 2.706 -2.482 -0.949 0.00 0.00 -0.003 A ATOM 31 C LIG 1 2.769 -3.848 -0.653 0.00 0.00 +0.026 A ATOM 32 C LIG 1 3.484 -4.258 0.465 0.00 0.00 +0.113 A ATOM 33 N LIG 1 4.135 -3.414 1.295 0.00 0.00 -0.236 NA BRANCH 27 34 ATOM 34 N LIG 1 4.787 -1.330 1.938 0.00 0.00 -0.187 N ATOM 35 H LIG 1 5.250 -1.982 2.572 0.00 0.00 +0.176 HD BRANCH 34 36 ATOM 36 S LIG 1 5.931 -0.255 1.367 0.00 0.00 +0.110 S ATOM 37 O LIG 1 6.394 -0.688 0.072 0.00 0.00 -0.138 OA ATOM 38 O LIG 1 6.840 -0.006 2.460 0.00 0.00 -0.138 OA BRANCH 36 40 ATOM 39 C LIG 1 4.375 1.717 2.311 0.00 0.00 +0.129 C ATOM 40 N LIG 1 5.002 1.111 1.140 0.00 0.00 -0.180 NA ATOM 41 H LIG 1 4.404 1.026 0.317 0.00 0.00 +0.149 HD ENDBRANCH 36 40 ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 8