REMARK Name = BDB065168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.330 -2.058 1.719 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -1.307 -3.118 1.712 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -0.711 -4.243 1.147 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.378 -5.464 0.992 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -2.704 -5.537 1.427 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -3.334 -4.430 1.991 0.00 0.00 +0.001 A ATOM 7 N LIG 1 0.571 -3.888 0.814 0.00 0.00 -0.354 N ATOM 8 H LIG 1 1.234 -4.507 0.375 0.00 0.00 +0.166 HD ATOM 9 C LIG 1 -2.648 -3.219 2.141 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.817 -2.574 1.126 0.00 0.00 +0.053 A ENDROOT BRANCH 10 11 ATOM 11 C LIG 1 2.171 -1.878 0.784 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.495 -0.559 1.007 0.00 0.00 +0.121 A ATOM 13 N LIG 1 3.755 -0.354 0.506 0.00 0.00 -0.225 N ATOM 14 C LIG 1 4.240 -1.503 -0.060 0.00 0.00 +0.112 A ATOM 15 C LIG 1 3.284 -2.481 0.130 0.00 0.00 +0.031 A BRANCH 13 16 ATOM 16 S LIG 1 4.470 1.183 0.351 0.00 0.00 +0.084 S ATOM 17 O LIG 1 4.063 1.921 1.531 0.00 0.00 -0.148 OA ATOM 18 O LIG 1 5.863 0.939 0.029 0.00 0.00 -0.148 OA BRANCH 16 19 ATOM 19 C LIG 1 3.657 1.860 -1.069 0.00 0.00 +0.111 A ATOM 20 C LIG 1 4.235 1.709 -2.333 0.00 0.00 +0.029 A ATOM 21 C LIG 1 3.583 2.230 -3.451 0.00 0.00 +0.002 A ATOM 22 C LIG 1 2.367 2.900 -3.303 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.802 3.058 -2.037 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.447 2.543 -0.913 0.00 0.00 +0.029 A ENDBRANCH 16 19 ENDBRANCH 13 16 ENDBRANCH 10 11 BRANCH 1 25 ATOM 25 C LIG 1 -0.567 -0.702 2.308 0.00 0.00 +0.073 C BRANCH 25 30 ATOM 26 C LIG 1 -1.369 1.120 -1.007 0.00 0.00 +0.165 A ATOM 27 C LIG 1 -2.144 2.177 -0.510 0.00 0.00 +0.204 A ATOM 28 C LIG 1 -2.404 2.305 0.863 0.00 0.00 +0.165 A ATOM 29 C LIG 1 -1.897 1.339 1.737 0.00 0.00 +0.053 A ATOM 30 C LIG 1 -1.138 0.247 1.268 0.00 0.00 -0.036 A ATOM 31 C LIG 1 -0.879 0.164 -0.112 0.00 0.00 +0.053 A BRANCH 26 33 ATOM 32 C LIG 1 -0.352 0.060 -2.890 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -1.140 1.117 -2.360 0.00 0.00 -0.491 OA ENDBRANCH 26 33 BRANCH 27 34 ATOM 34 O LIG 1 -2.593 3.152 -1.376 0.00 0.00 -0.488 OA ATOM 35 C LIG 1 -3.878 2.787 -1.882 0.00 0.00 +0.277 C ENDBRANCH 27 34 BRANCH 28 36 ATOM 36 O LIG 1 -3.150 3.393 1.240 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -3.335 3.611 2.631 0.00 0.00 +0.277 C ENDBRANCH 28 36 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 8