REMARK Name = BDB009461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.020 -0.563 -0.229 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.203 -1.809 0.364 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.322 -2.801 0.172 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.306 -2.045 1.179 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.241 -1.030 1.394 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.080 0.228 0.792 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.968 0.448 -0.037 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 -4.950 0.364 0.633 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -4.154 -0.683 0.178 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.815 -0.908 -1.232 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -2.512 -0.176 -1.592 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -1.423 -0.491 -0.655 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.121 -0.314 -1.127 0.00 0.00 +0.249 C ATOM 14 O LIG 1 0.133 0.051 -2.273 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -1.779 -0.416 0.778 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -3.094 -1.154 1.076 0.00 0.00 +0.127 C ATOM 17 O LIG 1 -4.847 0.785 1.792 0.00 0.00 -0.274 OA BRANCH 8 20 ATOM 18 C LIG 1 -7.397 -1.092 -1.044 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -7.370 0.173 -0.186 0.00 0.00 +0.036 C ATOM 20 C LIG 1 -6.037 0.946 -0.304 0.00 0.00 +0.157 C ATOM 21 N LIG 1 -6.278 2.370 0.066 0.00 0.00 -0.296 NA ATOM 22 H LIG 1 -6.456 2.394 1.073 0.00 0.00 +0.123 HD ATOM 23 C LIG 1 -7.475 2.798 -0.644 0.00 0.00 +0.152 C ATOM 24 S LIG 1 -8.572 1.381 -0.858 0.00 0.00 -0.137 S ATOM 25 C LIG 1 -7.805 -0.152 1.251 0.00 0.00 +0.024 C ENDBRANCH 8 20 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 C LIG 1 4.107 1.319 0.991 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 5.154 1.330 -0.116 0.00 0.00 +0.087 A ATOM 28 C LIG 1 6.400 0.498 0.035 0.00 0.00 +0.059 A ATOM 29 N LIG 1 6.699 -0.181 1.215 0.00 0.00 -0.342 N ATOM 30 H LIG 1 6.346 0.272 2.053 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 8.020 -0.776 1.404 0.00 0.00 +0.102 C ATOM 32 C LIG 1 8.485 -1.413 0.098 0.00 0.00 +0.023 C ATOM 33 C LIG 1 8.452 -0.398 -1.050 0.00 0.00 +0.044 C ATOM 34 C LIG 1 7.202 0.439 -1.040 0.00 0.00 +0.041 A ATOM 35 C LIG 1 6.895 1.229 -2.253 0.00 0.00 +0.270 A ATOM 36 O LIG 1 7.622 1.201 -3.241 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 5.774 2.012 -2.191 0.00 0.00 -0.243 N ATOM 38 H LIG 1 5.536 2.547 -3.020 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 4.883 2.052 -1.164 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4