REMARK Name = BDB008846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.047 -1.177 0.922 0.00 0.00 +0.070 A ATOM 2 C LIG 1 0.027 -1.383 2.307 0.00 0.00 +0.145 A ATOM 3 F LIG 1 1.090 -1.018 3.042 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.068 -1.956 2.943 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -2.175 -2.337 2.188 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.185 -2.147 0.798 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -1.061 -1.577 0.172 0.00 0.00 +0.030 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 1.417 -0.174 -0.921 0.00 0.00 +0.252 C ATOM 9 N LIG 1 1.205 -0.582 0.379 0.00 0.00 -0.279 N ATOM 10 H LIG 1 1.924 -0.358 1.057 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 0.580 -0.190 -1.816 0.00 0.00 -0.270 OA BRANCH 8 17 ATOM 12 C LIG 1 4.317 -1.048 0.357 0.00 0.00 +0.066 C ATOM 13 C LIG 1 3.974 0.062 -0.574 0.00 0.00 +0.054 A ATOM 14 N LIG 1 4.905 0.947 -1.127 0.00 0.00 -0.236 N ATOM 15 N LIG 1 4.362 1.619 -2.178 0.00 0.00 -0.174 NA ATOM 16 C LIG 1 3.073 1.300 -2.165 0.00 0.00 +0.148 A ATOM 17 C LIG 1 2.748 0.371 -1.162 0.00 0.00 +0.078 A BRANCH 14 18 ATOM 18 C LIG 1 6.259 1.224 -0.762 0.00 0.00 +0.066 A ATOM 19 C LIG 1 6.786 0.877 0.488 0.00 0.00 +0.028 A ATOM 20 C LIG 1 8.117 1.177 0.802 0.00 0.00 +0.002 A ATOM 21 C LIG 1 8.928 1.833 -0.121 0.00 0.00 +0.000 A ATOM 22 C LIG 1 8.409 2.205 -1.357 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.081 1.909 -1.675 0.00 0.00 +0.028 A ENDBRANCH 14 18 ENDBRANCH 8 17 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.383 -2.568 -0.024 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -4.662 -1.834 0.367 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -4.894 -0.434 -0.110 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -3.912 0.251 -1.020 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -4.471 1.520 -1.672 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.229 2.368 -0.658 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.390 1.581 -0.046 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -6.021 0.167 0.310 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -6.978 -0.564 1.177 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -8.022 -0.051 1.567 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.627 -1.845 1.509 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -7.269 -2.362 2.100 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -5.491 -2.486 1.130 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5