REMARK Name = BDB054292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.237 2.852 -0.914 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.236 1.473 -0.671 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.100 0.839 -0.162 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.054 1.577 0.123 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.051 2.956 -0.117 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.088 3.589 -0.628 0.00 0.00 +0.023 A ENDROOT BRANCH 1 11 ATOM 7 O LIG 1 -1.771 5.535 -2.067 0.00 0.00 -0.252 OA ATOM 8 C LIG 1 -2.640 4.695 -1.845 0.00 0.00 +0.308 C ATOM 9 N LIG 1 -3.941 5.026 -2.131 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -3.991 5.869 -2.689 0.00 0.00 +0.156 HD ATOM 11 N LIG 1 -2.427 3.417 -1.408 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.176 2.771 -1.611 0.00 0.00 +0.156 HD BRANCH 9 13 ATOM 13 C LIG 1 -5.164 4.465 -1.719 0.00 0.00 +0.035 A ATOM 14 C LIG 1 -5.295 3.601 -0.629 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -6.541 3.048 -0.283 0.00 0.00 -0.032 A ATOM 16 C LIG 1 -7.675 3.413 -1.017 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -7.562 4.315 -2.075 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.314 4.842 -2.419 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 C LIG 1 -6.639 2.093 0.889 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -5.716 0.948 0.760 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -5.533 0.290 2.060 0.00 0.00 +0.087 C ATOM 22 C LIG 1 -4.501 -0.834 1.966 0.00 0.00 +0.046 C ATOM 23 C LIG 1 -4.846 -1.842 0.875 0.00 0.00 +0.117 C ATOM 24 C LIG 1 -5.181 -1.149 -0.442 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -6.183 -0.006 -0.256 0.00 0.00 +0.087 C BRANCH 23 26 ATOM 26 O LIG 1 -5.929 -2.677 1.288 0.00 0.00 -0.392 OA ATOM 27 H LIG 1 -6.710 -2.122 1.446 0.00 0.00 +0.210 HD ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 9 13 ENDBRANCH 1 11 BRANCH 4 28 ATOM 28 C LIG 1 2.288 0.890 0.655 0.00 0.00 +0.054 C BRANCH 28 29 ATOM 29 C LIG 1 3.216 0.437 -0.477 0.00 0.00 +0.107 C BRANCH 29 30 ATOM 30 N LIG 1 4.415 -0.205 0.052 0.00 0.00 -0.328 N ATOM 31 H LIG 1 5.288 0.103 -0.364 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 4.368 -1.579 0.275 0.00 0.00 +0.134 A ATOM 33 C LIG 1 5.527 -2.365 0.367 0.00 0.00 +0.098 A ATOM 34 C LIG 1 5.342 -3.716 0.612 0.00 0.00 +0.234 A ATOM 35 O LIG 1 6.542 -4.351 0.679 0.00 0.00 -0.435 OA ATOM 36 C LIG 1 7.522 -3.417 0.476 0.00 0.00 +0.157 A ATOM 37 N LIG 1 4.181 -4.361 0.770 0.00 0.00 -0.200 NA ATOM 38 C LIG 1 3.144 -3.526 0.666 0.00 0.00 +0.227 A ATOM 39 C LIG 1 6.935 -2.179 0.284 0.00 0.00 +0.099 A ATOM 40 CL LIG 1 7.697 -0.678 0.020 0.00 0.00 -0.079 Cl ATOM 41 N LIG 1 3.174 -2.201 0.431 0.00 0.00 -0.220 NA BRANCH 36 42 ATOM 42 C LIG 1 8.886 -3.943 0.508 0.00 0.00 +0.019 A ATOM 43 C LIG 1 9.921 -3.343 -0.223 0.00 0.00 +0.011 A ATOM 44 C LIG 1 11.222 -3.856 -0.180 0.00 0.00 +0.001 A ATOM 45 C LIG 1 11.505 -4.980 0.591 0.00 0.00 +0.000 A ATOM 46 C LIG 1 10.490 -5.594 1.317 0.00 0.00 +0.001 A ATOM 47 C LIG 1 9.191 -5.080 1.275 0.00 0.00 +0.011 A ENDBRANCH 36 42 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10