REMARK Name = BDB026794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.150 -0.600 -0.665 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.087 -1.900 0.141 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.771 -2.047 1.245 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.840 -3.253 1.947 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.065 -4.338 1.549 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.770 -4.223 0.441 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.839 -3.019 -0.263 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.485 0.550 0.030 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -0.149 0.890 0.752 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 0.848 1.659 -0.861 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 2.067 1.399 -1.764 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.685 0.663 0.458 0.00 0.00 +0.105 A ATOM 13 C LIG 1 4.913 -0.414 0.017 0.00 0.00 +0.029 A ATOM 14 C LIG 1 3.748 -0.172 -0.712 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.345 1.141 -0.997 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.124 2.213 -0.535 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.291 1.977 0.194 0.00 0.00 +0.029 A BRANCH 12 18 ATOM 18 S LIG 1 7.139 0.359 1.415 0.00 0.00 +0.056 S ATOM 19 O LIG 1 7.027 -0.928 2.060 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 7.494 1.557 2.140 0.00 0.00 -0.153 OA BRANCH 18 21 ATOM 21 N LIG 1 8.309 0.180 0.225 0.00 0.00 -0.204 NA ATOM 22 H LIG 1 9.009 0.916 0.315 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 8.694 -0.764 0.258 0.00 0.00 +0.144 HD ENDBRANCH 18 21 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.581 -0.226 -1.138 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -1.793 -0.104 -2.350 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.662 0.026 -0.167 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -3.995 0.480 -0.464 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -4.691 0.580 0.741 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -6.026 0.998 0.820 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -6.694 1.323 -0.374 0.00 0.00 +0.057 A ATOM 31 C LIG 1 -6.013 1.239 -1.595 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -3.827 0.201 1.739 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -4.064 0.164 2.721 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.678 0.820 -1.652 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -2.608 -0.128 1.208 0.00 0.00 +0.095 A BRANCH 30 36 ATOM 36 C LIG 1 -8.127 1.799 -0.333 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -8.220 3.152 -0.208 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.833 1.279 0.710 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -8.833 1.477 -1.454 0.00 0.00 -0.166 F ENDBRANCH 30 36 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10