REMARK Name = BDB008078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.522 -0.285 -0.266 0.00 0.00 +0.174 C ENDROOT BRANCH 1 3 ATOM 2 C UNK A 0 -1.111 1.710 -0.123 0.00 0.00 +0.131 A ATOM 3 C UNK A 0 -0.197 0.830 0.463 0.00 0.00 +0.018 A ATOM 4 C UNK A 0 -0.119 1.179 1.862 0.00 0.00 +0.006 A ATOM 5 C UNK A 0 -0.993 2.244 2.075 0.00 0.00 +0.049 A ATOM 6 C UNK A 0 -1.179 2.846 3.328 0.00 0.00 +0.046 A ATOM 7 C UNK A 0 -0.447 2.337 4.402 0.00 0.00 +0.043 A ATOM 8 C UNK A 0 0.428 1.271 4.236 0.00 0.00 +0.021 A ATOM 9 CL UNK A 0 -0.641 3.043 5.961 0.00 0.00 -0.083 Cl ATOM 10 C UNK A 0 0.598 0.684 2.975 0.00 0.00 +0.012 A ATOM 11 N UNK A 0 -1.586 2.528 0.874 0.00 0.00 -0.349 N ATOM 12 H UNK A 0 -2.284 3.245 0.725 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C UNK A 0 -1.548 1.806 -1.500 0.00 0.00 +0.356 C ATOM 14 O UNK A 0 -1.031 1.260 -2.464 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O UNK A 0 -2.627 2.641 -1.569 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C UNK A 0 -4.367 3.706 -2.810 0.00 0.00 +0.048 C ATOM 17 C UNK A 0 -3.163 2.788 -2.890 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C UNK A 0 1.910 -0.658 0.315 0.00 0.00 +0.235 C ATOM 19 N UNK A 0 2.838 0.366 0.252 0.00 0.00 -0.310 N ATOM 20 H UNK A 0 2.600 1.207 -0.258 0.00 0.00 +0.149 HD ATOM 21 O UNK A 0 2.183 -1.766 0.774 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 C UNK A 0 4.223 0.173 0.614 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C UNK A 0 5.073 0.004 -0.617 0.00 0.00 -0.030 A ATOM 24 C UNK A 0 5.130 -1.237 -1.269 0.00 0.00 +0.005 A ATOM 25 C UNK A 0 5.897 -1.395 -2.424 0.00 0.00 +0.000 A ATOM 26 C UNK A 0 6.611 -0.316 -2.941 0.00 0.00 +0.000 A ATOM 27 C UNK A 0 6.556 0.924 -2.305 0.00 0.00 +0.000 A ATOM 28 C UNK A 0 5.789 1.085 -1.150 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 29 ATOM 29 N LEU A 1 -0.378 -1.446 -0.441 0.00 0.00 -0.290 NA ATOM 30 H LEU A 1 0.134 -2.128 -1.014 0.00 0.00 +0.124 HD BRANCH 29 31 ATOM 31 CA LEU A 1 -0.781 -2.143 0.803 0.00 0.00 +0.164 C BRANCH 31 32 ATOM 32 C LEU A 1 -0.472 -3.642 0.667 0.00 0.00 +0.322 C ATOM 33 O LEU A 1 -0.033 -4.204 -0.327 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 OXT LEU A 1 -0.712 -4.344 1.793 0.00 0.00 -0.480 OA ATOM 35 HXT LEU A 1 -0.428 -5.252 1.559 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 CB LEU A 1 -2.269 -1.917 1.137 0.00 0.00 +0.033 C BRANCH 36 37 ATOM 37 CG LEU A 1 -3.322 -2.538 0.189 0.00 0.00 -0.015 C ATOM 38 CD2 LEU A 1 -3.340 -1.911 -1.206 0.00 0.00 +0.007 C ATOM 39 CD1 LEU A 1 -4.712 -2.393 0.820 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 31 36 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 13