REMARK Name = BDB006238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.246 -0.374 -1.329 0.00 0.00 -0.232 N ATOM 2 C LIG 1 0.615 -0.123 -0.093 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.706 0.106 -0.425 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.045 0.421 0.133 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.907 0.442 -1.102 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -2.147 0.140 -2.272 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.503 0.068 -3.437 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.797 -0.058 -1.795 0.00 0.00 +0.154 A ATOM 9 N LIG 1 0.350 -0.385 -2.367 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.269 0.764 -1.069 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.887 1.183 0.054 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.235 1.508 0.107 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.793 1.939 1.381 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -7.072 1.423 -1.007 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -8.268 1.707 -0.983 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.404 0.952 -2.259 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -7.361 0.797 -3.683 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -5.098 0.651 -2.261 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.385 -0.695 1.115 0.00 0.00 -0.019 A ATOM 20 C LIG 1 -2.431 -0.463 2.514 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.151 0.887 3.121 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -2.770 -1.518 3.381 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -3.047 -2.789 2.884 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -3.452 -4.061 3.969 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.998 -3.033 1.519 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.672 -1.996 0.644 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 28 ATOM 27 C LIG 1 3.085 -1.537 -2.440 0.00 0.00 +0.145 A ATOM 28 C LIG 1 2.622 -0.485 -1.641 0.00 0.00 +0.107 A ATOM 29 C LIG 1 3.511 0.512 -1.220 0.00 0.00 +0.036 A ATOM 30 C LIG 1 4.873 0.442 -1.560 0.00 0.00 -0.028 A ATOM 31 C LIG 1 5.332 -0.643 -2.318 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.443 -1.627 -2.755 0.00 0.00 +0.048 A BRANCH 27 34 ATOM 33 C LIG 1 1.995 -2.543 -4.203 0.00 0.00 +0.277 C ATOM 34 O LIG 1 2.253 -2.566 -2.798 0.00 0.00 -0.493 OA ENDBRANCH 27 34 BRANCH 30 35 ATOM 35 C LIG 1 5.831 1.504 -1.081 0.00 0.00 +0.139 C BRANCH 35 36 ATOM 36 N LIG 1 6.282 1.211 0.260 0.00 0.00 -0.311 N ATOM 37 H LIG 1 6.826 0.370 0.394 0.00 0.00 +0.149 HD ATOM 38 C LIG 1 5.756 1.846 1.358 0.00 0.00 +0.210 C ATOM 39 O LIG 1 4.926 2.748 1.298 0.00 0.00 -0.276 OA ATOM 40 C LIG 1 6.266 1.316 2.671 0.00 0.00 +0.109 C ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 1 28 BRANCH 2 41 ATOM 41 C LIG 1 1.217 -0.232 1.288 0.00 0.00 +0.032 C ATOM 42 C LIG 1 1.680 1.112 1.841 0.00 0.00 +0.014 C ATOM 43 C LIG 1 2.279 -1.317 1.453 0.00 0.00 +0.014 C ENDBRANCH 2 41 TORSDOF 7