REMARK Name = BDB005099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.087 0.207 2.131 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.024 -0.461 1.611 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.258 -0.445 2.286 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.373 0.271 3.484 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.271 0.941 4.010 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.953 0.907 3.337 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.734 -0.419 0.351 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.353 0.236 1.508 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.072 0.741 2.008 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.057 -1.190 -0.318 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.790 0.258 -0.926 0.00 0.00 +0.033 A ATOM 12 C LIG 1 6.196 -1.000 -1.049 0.00 0.00 +0.024 A ATOM 13 C LIG 1 4.875 -1.207 -0.634 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.137 -0.159 -0.077 0.00 0.00 +0.037 A ATOM 15 C LIG 1 4.718 1.109 0.035 0.00 0.00 +0.015 A ATOM 16 C LIG 1 6.037 1.310 -0.386 0.00 0.00 +0.024 A BRANCH 11 19 ATOM 17 C LIG 1 10.346 0.361 -2.179 0.00 0.00 +0.109 C ATOM 18 C LIG 1 9.039 -0.323 -1.865 0.00 0.00 +0.214 C ATOM 19 N LIG 1 8.111 0.548 -1.321 0.00 0.00 -0.286 N ATOM 20 H LIG 1 8.413 1.506 -1.195 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 8.880 -1.514 -2.108 0.00 0.00 -0.276 OA ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.458 -1.156 1.703 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 -3.274 -0.177 0.995 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.715 0.308 0.298 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.429 -0.699 0.374 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -5.272 0.165 -0.356 0.00 0.00 +0.041 A ATOM 27 C LIG 1 -6.402 -0.418 -0.963 0.00 0.00 +0.088 A ATOM 28 C LIG 1 -7.249 0.427 -1.711 0.00 0.00 +0.063 A ATOM 29 C LIG 1 -6.985 1.805 -1.837 0.00 0.00 +0.015 A ATOM 30 C LIG 1 -5.880 2.371 -1.222 0.00 0.00 +0.002 A ATOM 31 N LIG 1 -6.648 -1.740 -0.817 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -5.797 -2.459 -0.077 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -5.032 1.557 -0.486 0.00 0.00 +0.013 A ATOM 34 N LIG 1 -4.703 -2.003 0.529 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 -8.478 -0.058 -2.415 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -9.211 0.709 -3.032 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -8.777 -1.387 -2.363 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -8.200 -2.029 -1.828 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -9.617 -1.719 -2.813 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 7