REMARK Name = BDB056457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.982 -0.482 0.085 0.00 0.00 -0.302 N ATOM 2 H LIG 1 -0.728 -0.410 1.065 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.051 -0.023 -0.822 0.00 0.00 +0.214 C ATOM 4 O LIG 1 -0.337 0.337 -1.957 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -2.420 -0.376 -0.208 0.00 0.00 +0.186 C BRANCH 5 6 ATOM 6 C LIG 1 -2.885 0.989 0.305 0.00 0.00 +0.328 C ATOM 7 O LIG 1 -2.474 1.503 1.342 0.00 0.00 -0.249 OA BRANCH 6 9 ATOM 8 C LIG 1 -4.319 2.797 -0.093 0.00 0.00 +0.280 C ATOM 9 O LIG 1 -3.818 1.532 -0.523 0.00 0.00 -0.467 OA ENDBRANCH 6 9 ENDBRANCH 5 6 BRANCH 5 10 ATOM 10 C LIG 1 -3.187 -1.493 0.509 0.00 0.00 +0.069 C BRANCH 10 11 ATOM 11 C LIG 1 -4.648 -1.564 0.135 0.00 0.00 -0.045 A ATOM 12 C LIG 1 -5.036 -2.070 -1.113 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -6.385 -2.119 -1.467 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.357 -1.664 -0.578 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.981 -1.160 0.666 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.633 -1.110 1.022 0.00 0.00 +0.004 A ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 5 BRANCH 3 17 ATOM 17 C LIG 1 1.354 0.009 -0.262 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 2.381 0.341 -1.337 0.00 0.00 +0.083 C BRANCH 18 19 ATOM 19 C LIG 1 3.736 0.516 -0.703 0.00 0.00 +0.111 A ATOM 20 N LIG 1 4.066 1.792 -0.336 0.00 0.00 -0.310 N ATOM 21 H LIG 1 3.447 2.568 -0.525 0.00 0.00 +0.170 HD ATOM 22 C LIG 1 5.255 2.117 0.266 0.00 0.00 +0.259 A ATOM 23 O LIG 1 5.536 3.269 0.573 0.00 0.00 -0.267 OA ATOM 24 C LIG 1 6.169 0.990 0.517 0.00 0.00 +0.065 A ATOM 25 C LIG 1 5.744 -0.281 0.121 0.00 0.00 +0.078 A ATOM 26 C LIG 1 6.592 -1.367 0.347 0.00 0.00 +0.028 A ATOM 27 C LIG 1 7.837 -1.183 0.957 0.00 0.00 +0.002 A ATOM 28 C LIG 1 8.246 0.093 1.347 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.411 1.188 1.128 0.00 0.00 +0.015 A ATOM 30 N LIG 1 4.500 -0.506 -0.494 0.00 0.00 -0.234 NA ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 TORSDOF 8