REMARK Name = BDB009306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.568 -0.522 1.125 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.880 0.088 2.345 0.00 0.00 +0.144 A ATOM 3 F LIG 1 2.100 0.615 2.532 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -0.047 0.165 3.379 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.318 -0.376 3.200 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.666 -0.989 1.985 0.00 0.00 -0.040 A ATOM 7 C LIG 1 -0.706 -1.069 0.957 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 0.559 -1.605 -1.654 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 1.528 -1.065 -1.130 0.00 0.00 +0.221 C ATOM 10 N LIG 1 1.581 -0.539 0.144 0.00 0.00 -0.283 N ATOM 11 H LIG 1 2.473 -0.143 0.441 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 2.815 -0.874 -1.911 0.00 0.00 +0.137 C BRANCH 12 13 ATOM 13 C LIG 1 3.994 -1.566 -1.238 0.00 0.00 +0.238 C BRANCH 13 14 ATOM 14 O LIG 1 4.401 -0.869 -0.055 0.00 0.00 -0.491 OA BRANCH 14 15 ATOM 15 C LIG 1 5.234 0.208 -0.168 0.00 0.00 +0.121 A ATOM 16 C LIG 1 5.539 0.831 1.046 0.00 0.00 +0.045 A ATOM 17 C LIG 1 6.369 1.952 1.085 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.904 2.459 -0.096 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.606 1.843 -1.311 0.00 0.00 +0.004 A ATOM 20 C LIG 1 5.772 0.720 -1.349 0.00 0.00 +0.045 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 21 ATOM 21 C LIG 1 -3.044 -1.605 1.846 0.00 0.00 +0.094 C BRANCH 21 22 ATOM 22 C LIG 1 -3.626 -1.600 0.439 0.00 0.00 +0.087 A ATOM 23 C LIG 1 -4.112 -0.301 -0.146 0.00 0.00 +0.059 A ATOM 24 N LIG 1 -3.995 0.903 0.546 0.00 0.00 -0.342 N ATOM 25 H LIG 1 -3.193 0.933 1.175 0.00 0.00 +0.146 HD ATOM 26 C LIG 1 -4.225 2.169 -0.149 0.00 0.00 +0.102 C ATOM 27 C LIG 1 -5.426 2.022 -1.081 0.00 0.00 +0.023 C ATOM 28 C LIG 1 -5.232 0.845 -2.047 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -4.674 -0.373 -1.363 0.00 0.00 +0.041 A ATOM 30 C LIG 1 -4.749 -1.665 -2.082 0.00 0.00 +0.270 A ATOM 31 O LIG 1 -5.244 -1.753 -3.201 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -4.232 -2.749 -1.423 0.00 0.00 -0.243 N ATOM 33 H LIG 1 -4.270 -3.643 -1.902 0.00 0.00 +0.192 HD ATOM 34 N LIG 1 -3.688 -2.745 -0.176 0.00 0.00 -0.174 NA ENDBRANCH 21 22 ENDBRANCH 6 21 TORSDOF 7