REMARK Name = BDB012182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.860 1.156 0.381 0.00 0.00 +0.077 C ATOM 2 C LIG 1 -0.451 0.265 -0.808 0.00 0.00 +0.015 C ATOM 3 C LIG 1 -0.418 -1.216 -0.435 0.00 0.00 +0.023 C ATOM 4 C LIG 1 0.585 -1.499 0.698 0.00 0.00 +0.073 C ATOM 5 C LIG 1 0.711 -0.331 1.690 0.00 0.00 +0.023 C ATOM 6 C LIG 1 -0.558 0.511 1.745 0.00 0.00 +0.015 C ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -4.399 1.291 0.189 0.00 0.00 +0.248 A ATOM 8 O LIG 1 -3.236 0.569 0.268 0.00 0.00 -0.420 OA ATOM 9 C LIG 1 -2.292 1.560 0.297 0.00 0.00 +0.221 A ATOM 10 N LIG 1 -2.815 2.767 0.243 0.00 0.00 -0.112 NA ATOM 11 N LIG 1 -4.182 2.592 0.172 0.00 0.00 -0.107 NA BRANCH 7 14 ATOM 12 C LIG 1 -8.086 0.565 0.007 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -6.868 1.248 0.057 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -5.651 0.547 0.137 0.00 0.00 +0.042 A ATOM 15 C LIG 1 -5.678 -0.855 0.166 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -6.892 -1.542 0.117 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -8.088 -0.831 0.039 0.00 0.00 +0.045 A BRANCH 12 19 ATOM 18 C LIG 1 -9.380 2.555 -0.134 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -9.326 1.135 -0.072 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 4 20 ATOM 20 N LIG 1 1.895 -1.831 0.158 0.00 0.00 -0.312 N ATOM 21 H LIG 1 2.551 -1.073 -0.034 0.00 0.00 +0.149 HD ATOM 22 C LIG 1 2.206 -3.092 -0.294 0.00 0.00 +0.213 C ATOM 23 O LIG 1 1.455 -4.057 -0.197 0.00 0.00 -0.276 OA BRANCH 22 24 ATOM 24 C LIG 1 3.583 -3.205 -0.915 0.00 0.00 +0.096 C BRANCH 24 25 ATOM 25 C LIG 1 4.696 -3.414 0.113 0.00 0.00 +0.017 C BRANCH 25 26 ATOM 26 C LIG 1 4.934 -2.246 1.073 0.00 0.00 +0.075 C BRANCH 26 27 ATOM 27 C LIG 1 5.241 -0.963 0.337 0.00 0.00 +0.110 A ATOM 28 N LIG 1 6.527 -0.813 -0.101 0.00 0.00 -0.310 N ATOM 29 H LIG 1 7.231 -1.513 0.089 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 6.957 0.280 -0.810 0.00 0.00 +0.259 A ATOM 31 O LIG 1 8.114 0.391 -1.194 0.00 0.00 -0.267 OA ATOM 32 C LIG 1 5.934 1.304 -1.078 0.00 0.00 +0.065 A ATOM 33 C LIG 1 4.644 1.067 -0.595 0.00 0.00 +0.078 A ATOM 34 C LIG 1 3.659 2.029 -0.829 0.00 0.00 +0.028 A ATOM 35 C LIG 1 3.958 3.198 -1.535 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.251 3.418 -2.013 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.247 2.469 -1.784 0.00 0.00 +0.015 A ATOM 38 N LIG 1 4.301 -0.100 0.112 0.00 0.00 -0.234 NA ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 4 20 TORSDOF 8