REMARK Name = BDB020144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.599 -2.205 0.351 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -1.350 -2.238 -0.288 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.429 -1.208 -0.089 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.734 -0.155 0.778 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.984 -0.079 1.407 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.906 -1.114 1.187 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.295 -4.878 1.665 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -3.452 -4.549 0.757 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.578 -3.281 0.141 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -4.681 -3.042 -0.703 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -5.635 -4.033 -0.940 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -5.491 -5.272 -0.336 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -6.403 -6.227 -0.564 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -4.415 -5.539 0.502 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 0.880 -1.249 -0.789 0.00 0.00 +0.245 C ATOM 16 N LIG 1 1.357 -0.027 -1.203 0.00 0.00 -0.303 N ATOM 17 H LIG 1 0.797 0.799 -1.062 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.444 -2.319 -0.972 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 2.712 0.156 -1.696 0.00 0.00 +0.125 C BRANCH 19 20 ATOM 20 C LIG 1 3.686 0.541 -0.580 0.00 0.00 +0.062 A ATOM 21 N LIG 1 4.931 -0.010 -0.629 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 5.821 0.324 0.342 0.00 0.00 +0.074 A ATOM 23 C LIG 1 7.178 -0.306 0.281 0.00 0.00 +0.068 C ATOM 24 C LIG 1 5.511 1.215 1.361 0.00 0.00 +0.144 A ATOM 25 F LIG 1 6.414 1.527 2.302 0.00 0.00 -0.204 F ATOM 26 C LIG 1 4.253 1.792 1.400 0.00 0.00 +0.042 A ATOM 27 C LIG 1 3.326 1.457 0.416 0.00 0.00 +0.028 A ENDBRANCH 19 20 BRANCH 19 28 ATOM 28 C LIG 1 2.781 1.202 -2.791 0.00 0.00 +0.015 C ATOM 29 C LIG 1 1.650 1.423 -3.771 0.00 0.00 +0.006 C ATOM 30 C LIG 1 1.999 2.498 -2.777 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 31 ATOM 31 C LIG 1 -2.316 1.085 2.318 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.131 2.356 1.642 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -0.952 3.115 1.628 0.00 0.00 +0.204 A ATOM 34 N LIG 1 0.140 2.956 2.288 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 0.048 2.164 2.924 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -1.201 4.120 0.691 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -0.302 5.223 0.457 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -2.486 3.994 0.190 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -3.045 2.913 0.750 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7