REMARK Name = BDB024867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.381 4.481 -0.539 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.235 3.365 0.309 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.171 3.205 1.441 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.686 3.980 2.671 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.461 1.738 1.744 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.184 0.999 2.070 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.132 1.252 1.030 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.065 0.331 0.898 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.830 -0.826 1.604 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.714 -1.333 1.117 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.232 -0.551 0.089 0.00 0.00 -0.319 N ATOM 12 C LIG 1 1.074 0.530 -0.053 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.068 1.635 -0.896 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.120 2.553 -0.750 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.159 2.397 0.186 0.00 0.00 +0.045 A ATOM 16 O LIG 1 3.737 4.728 -1.554 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 5.557 6.487 -0.926 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.377 5.324 -0.116 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -0.925 -0.827 -0.750 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.188 -0.193 -0.189 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -3.037 0.442 -1.073 0.00 0.00 -0.298 N ATOM 22 C LIG 1 -4.281 1.052 -0.608 0.00 0.00 +0.130 C ATOM 23 C LIG 1 -5.108 1.261 -1.888 0.00 0.00 +0.092 C ATOM 24 C LIG 1 -4.028 1.514 -2.942 0.00 0.00 +0.043 C ATOM 25 C LIG 1 -2.882 0.598 -2.515 0.00 0.00 +0.110 C ATOM 26 O LIG 1 -2.466 -0.273 1.008 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 N LIG 1 -5.910 0.083 -2.224 0.00 0.00 -0.311 N ATOM 28 H LIG 1 -5.427 -0.742 -2.568 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -7.118 -0.132 -1.589 0.00 0.00 +0.210 C ATOM 30 O LIG 1 -7.634 0.675 -0.820 0.00 0.00 -0.276 OA ATOM 31 C LIG 1 -7.745 -1.468 -1.907 0.00 0.00 +0.109 C ENDBRANCH 23 27 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.072 -2.595 1.589 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 0.790 -3.809 0.994 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 0.054 -5.052 1.225 0.00 0.00 -0.315 N ATOM 35 C LIG 1 -1.000 -5.368 0.362 0.00 0.00 +0.251 A ATOM 36 O LIG 1 -1.367 -4.670 -0.580 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -1.706 -6.650 0.640 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -1.354 -7.396 1.696 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -0.298 -6.967 2.580 0.00 0.00 +0.018 A ATOM 40 C LIG 1 0.369 -5.835 2.324 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 7