REMARK Name = BDB054285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.326 0.228 -0.211 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -1.674 0.424 -1.435 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.278 0.435 -1.510 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.492 0.249 -0.358 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -0.159 0.041 0.863 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.556 0.029 0.935 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.902 0.062 0.441 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -5.992 -0.336 -0.477 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -4.591 0.223 0.871 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -3.736 0.219 -0.224 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -4.170 0.402 -1.116 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -4.239 0.344 2.036 0.00 0.00 -0.252 OA BRANCH 7 14 ATOM 13 C LIG 1 -8.320 -0.288 0.674 0.00 0.00 -0.024 A ATOM 14 C LIG 1 -7.088 0.172 1.209 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -7.075 0.778 2.474 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -8.248 0.940 3.212 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -9.457 0.510 2.691 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -9.494 -0.091 1.433 0.00 0.00 +0.006 A BRANCH 13 20 ATOM 19 C LIG 1 -9.536 -2.007 -0.826 0.00 0.00 +0.012 C ATOM 20 C LIG 1 -8.417 -0.963 -0.695 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -8.559 0.093 -1.795 0.00 0.00 +0.012 C ENDBRANCH 13 20 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 22 ATOM 22 C LIG 1 1.999 0.241 -0.428 0.00 0.00 +0.054 C BRANCH 22 23 ATOM 23 C LIG 1 2.560 -1.181 -0.540 0.00 0.00 +0.107 C BRANCH 23 24 ATOM 24 N LIG 1 4.010 -1.179 -0.693 0.00 0.00 -0.328 N ATOM 25 H LIG 1 4.364 -0.792 -1.561 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C LIG 1 4.793 -0.901 0.420 0.00 0.00 +0.134 A ATOM 27 C LIG 1 6.127 -0.479 0.317 0.00 0.00 +0.098 A ATOM 28 C LIG 1 6.801 -0.258 1.506 0.00 0.00 +0.234 A ATOM 29 O LIG 1 8.078 0.138 1.257 0.00 0.00 -0.435 OA ATOM 30 C LIG 1 8.243 0.185 -0.100 0.00 0.00 +0.157 A ATOM 31 N LIG 1 6.324 -0.398 2.749 0.00 0.00 -0.200 NA ATOM 32 C LIG 1 5.050 -0.798 2.736 0.00 0.00 +0.227 A ATOM 33 C LIG 1 7.062 -0.192 -0.715 0.00 0.00 +0.099 A ATOM 34 CL LIG 1 6.737 -0.328 -2.382 0.00 0.00 -0.079 Cl ATOM 35 N LIG 1 4.276 -1.048 1.664 0.00 0.00 -0.220 NA BRANCH 30 36 ATOM 36 C LIG 1 9.569 0.609 -0.544 0.00 0.00 +0.019 A ATOM 37 C LIG 1 9.750 1.307 -1.746 0.00 0.00 +0.011 A ATOM 38 C LIG 1 11.026 1.703 -2.160 0.00 0.00 +0.001 A ATOM 39 C LIG 1 12.138 1.409 -1.376 0.00 0.00 +0.000 A ATOM 40 C LIG 1 11.977 0.723 -0.175 0.00 0.00 +0.001 A ATOM 41 C LIG 1 10.702 0.328 0.237 0.00 0.00 +0.011 A ENDBRANCH 30 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8