REMARK Name = BDB009384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.930 0.144 -0.118 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.773 0.399 1.242 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.253 -0.124 1.930 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.677 1.217 1.914 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.764 1.763 1.228 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.965 1.479 -0.133 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.032 0.673 -0.803 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 4.234 -0.223 -0.749 0.00 0.00 -0.327 N ATOM 9 C LIG 1 3.642 -1.573 -0.942 0.00 0.00 +0.124 C ATOM 10 C LIG 1 2.221 -1.469 -1.527 0.00 0.00 +0.127 C ATOM 11 N LIG 1 1.362 -0.545 -0.778 0.00 0.00 -0.294 N ATOM 12 C LIG 1 -0.013 -0.753 -0.845 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.526 -1.662 -1.498 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.975 0.770 -0.530 0.00 0.00 +0.127 C ATOM 15 C LIG 1 3.380 0.647 0.087 0.00 0.00 +0.124 C BRANCH 8 19 ATOM 16 C LIG 1 8.415 -0.355 -0.005 0.00 0.00 +0.120 A ATOM 17 C LIG 1 7.556 0.157 0.963 0.00 0.00 +0.047 A ATOM 18 C LIG 1 6.172 0.207 0.729 0.00 0.00 +0.027 A ATOM 19 C LIG 1 5.610 -0.259 -0.467 0.00 0.00 +0.030 A ATOM 20 C LIG 1 6.496 -0.760 -1.432 0.00 0.00 +0.027 A ATOM 21 C LIG 1 7.876 -0.811 -1.206 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 10.366 -0.004 1.302 0.00 0.00 +0.277 C ATOM 23 O LIG 1 9.773 -0.461 0.093 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 8 19 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 C LIG 1 -4.153 2.046 -0.877 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -5.488 1.786 -0.190 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -6.047 0.388 -0.171 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.388 -0.679 -0.762 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.664 -0.457 -1.438 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -6.046 -1.963 -0.955 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -6.906 -2.275 0.266 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -7.872 -1.124 0.578 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -7.218 0.226 0.464 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -7.906 1.383 1.078 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -8.988 1.266 1.644 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -7.265 2.589 0.973 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -7.723 3.394 1.387 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -6.074 2.813 0.354 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5