REMARK Name = BDB057936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.042 -0.803 2.058 0.00 0.00 -0.039 A ATOM 2 C LIG 1 -0.677 -0.712 0.809 0.00 0.00 -0.011 A ATOM 3 C LIG 1 0.082 -0.450 -0.346 0.00 0.00 +0.014 A ATOM 4 C LIG 1 1.481 -0.270 -0.302 0.00 0.00 -0.025 A ATOM 5 C LIG 1 2.263 0.013 -1.604 0.00 0.00 +0.031 C ATOM 6 C LIG 1 3.735 0.172 -1.306 0.00 0.00 +0.038 A ATOM 7 C LIG 1 4.342 0.086 -0.070 0.00 0.00 +0.051 A ATOM 8 C LIG 1 3.587 -0.180 1.137 0.00 0.00 +0.196 C ATOM 9 O LIG 1 4.107 -0.258 2.244 0.00 0.00 -0.287 OA ATOM 10 C LIG 1 5.737 0.301 -0.258 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.940 0.514 -1.623 0.00 0.00 +0.049 A ATOM 12 C LIG 1 7.206 0.760 -2.171 0.00 0.00 +0.045 A ATOM 13 C LIG 1 8.302 0.790 -1.295 0.00 0.00 +0.054 A ATOM 14 C LIG 1 8.127 0.581 0.075 0.00 0.00 +0.019 A ATOM 15 C LIG 1 6.853 0.337 0.603 0.00 0.00 +0.012 A ATOM 16 N LIG 1 4.710 0.429 -2.237 0.00 0.00 -0.357 N ATOM 17 H LIG 1 4.560 0.543 -3.231 0.00 0.00 +0.166 HD ATOM 18 C LIG 1 1.742 1.316 -2.249 0.00 0.00 +0.022 C ATOM 19 C LIG 1 2.078 -1.166 -2.584 0.00 0.00 +0.022 C ATOM 20 C LIG 1 2.110 -0.358 0.961 0.00 0.00 +0.027 A ATOM 21 C LIG 1 1.351 -0.619 2.115 0.00 0.00 +0.016 A ENDROOT BRANCH 2 22 ATOM 22 C LIG 1 -2.105 -0.883 0.655 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.982 0.135 0.352 0.00 0.00 +0.117 A ATOM 24 N LIG 1 -4.221 -0.439 0.291 0.00 0.00 -0.268 N ATOM 25 N LIG 1 -4.204 -1.770 0.511 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 -2.913 -2.036 0.731 0.00 0.00 +0.142 A BRANCH 24 27 ATOM 27 C LIG 1 -5.480 0.243 0.019 0.00 0.00 +0.111 C ATOM 28 C LIG 1 -6.063 -0.160 -1.343 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -7.579 -0.014 -1.363 0.00 0.00 +0.162 C ATOM 30 O LIG 1 -7.963 1.087 -0.546 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -7.775 0.826 0.846 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -6.501 0.039 1.139 0.00 0.00 +0.055 C ENDBRANCH 24 27 ENDBRANCH 2 22 BRANCH 1 34 ATOM 33 C LIG 1 -1.302 0.254 3.963 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -0.785 -1.041 3.354 0.00 0.00 +0.032 C ENDBRANCH 1 34 BRANCH 13 35 ATOM 35 C LIG 1 9.615 1.040 -1.817 0.00 0.00 +0.099 C ATOM 36 N LIG 1 10.674 1.242 -2.247 0.00 0.00 -0.191 NA ENDBRANCH 13 35 TORSDOF 4