REMARK Name = BDB063191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 0.482 1.313 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.366 0.473 2.472 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.630 -0.128 2.493 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.186 -0.737 1.360 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.386 -0.725 0.208 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.115 -0.124 0.176 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.427 -1.348 1.396 0.00 0.00 -0.321 N ATOM 8 C LIG 1 -5.169 -1.804 0.193 0.00 0.00 +0.116 C ATOM 9 C LIG 1 -6.672 -1.666 0.582 0.00 0.00 +0.174 C ATOM 10 C LIG 1 -6.654 -1.829 2.095 0.00 0.00 +0.214 C ATOM 11 F LIG 1 -6.603 -3.154 2.408 0.00 0.00 -0.241 F ATOM 12 C LIG 1 -5.357 -1.143 2.517 0.00 0.00 +0.145 C BRANCH 9 13 ATOM 13 O LIG 1 -7.202 -0.363 0.278 0.00 0.00 -0.375 OA ATOM 14 C LIG 1 -7.611 -0.244 -1.081 0.00 0.00 +0.194 C ENDBRANCH 9 13 BRANCH 8 15 ATOM 15 C LIG 1 -4.782 -3.254 -0.123 0.00 0.00 +0.145 C BRANCH 15 16 ATOM 16 C LIG 1 -5.253 -3.626 -1.498 0.00 0.00 +0.307 C ATOM 17 O LIG 1 -6.233 -3.188 -2.081 0.00 0.00 -0.251 OA BRANCH 16 18 ATOM 18 O LIG 1 -4.475 -4.568 -2.070 0.00 0.00 -0.481 OA ATOM 19 H LIG 1 -4.902 -4.760 -2.932 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 O LIG 1 0.615 1.092 1.441 0.00 0.00 -0.488 OA BRANCH 20 25 ATOM 21 N LIG 1 4.246 1.134 -0.530 0.00 0.00 -0.328 N ATOM 22 C LIG 1 3.515 2.408 -0.560 0.00 0.00 +0.112 C ATOM 23 C LIG 1 2.429 2.376 0.523 0.00 0.00 +0.044 C ATOM 24 C LIG 1 1.630 3.683 0.516 0.00 0.00 +0.013 C ATOM 25 C LIG 1 1.508 1.150 0.321 0.00 0.00 +0.179 C ATOM 26 C LIG 1 2.339 -0.139 0.268 0.00 0.00 +0.064 C ATOM 27 C LIG 1 3.422 -0.048 -0.800 0.00 0.00 +0.109 C BRANCH 21 33 ATOM 28 C LIG 1 7.888 1.075 -0.943 0.00 0.00 +0.216 A ATOM 29 N LIG 1 8.110 1.171 -2.269 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 7.009 1.265 -3.051 0.00 0.00 +0.136 A ATOM 31 C LIG 1 5.698 1.263 -2.579 0.00 0.00 +0.080 A ATOM 32 CL LIG 1 4.428 1.403 -3.737 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 5.487 1.155 -1.195 0.00 0.00 +0.055 A ATOM 34 C LIG 1 6.622 1.063 -0.376 0.00 0.00 +0.091 A BRANCH 28 36 ATOM 35 C LIG 1 10.217 1.049 -0.717 0.00 0.00 +0.279 C ATOM 36 O LIG 1 8.949 0.983 -0.067 0.00 0.00 -0.480 OA ENDBRANCH 28 36 ENDBRANCH 21 33 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 9