REMARK Name = BDB060897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.312 0.768 -0.010 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.058 2.132 0.101 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.000 2.690 -0.505 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.893 2.942 0.863 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.005 2.388 1.502 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.301 1.021 1.368 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.436 0.212 0.614 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 1.023 -0.721 -1.748 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.463 -0.095 -0.850 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -0.905 -0.168 -0.599 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -1.505 0.106 0.713 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.986 0.516 0.613 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -3.754 -0.470 -0.177 0.00 0.00 -0.298 N ATOM 14 C LIG 1 -3.173 -0.670 -1.530 0.00 0.00 +0.127 C ATOM 15 C LIG 1 -1.693 -1.076 -1.441 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 -5.111 -0.357 -0.167 0.00 0.00 +0.197 A ATOM 17 N LIG 1 -5.807 -0.334 1.016 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -5.394 -0.418 1.929 0.00 0.00 +0.169 HD ATOM 19 C LIG 1 -7.145 -0.240 0.737 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -7.196 -0.235 -0.651 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -8.442 -0.153 -1.290 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -9.597 -0.079 -0.500 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -9.513 -0.088 0.894 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -8.279 -0.171 1.550 0.00 0.00 +0.028 A ATOM 25 N LIG 1 -5.936 -0.323 -1.189 0.00 0.00 -0.214 NA ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 4.505 0.442 2.082 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 5.245 -0.634 1.300 0.00 0.00 +0.074 A ATOM 28 C LIG 1 6.108 -0.259 0.149 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.755 -1.294 -0.523 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.584 -1.026 -1.619 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.766 0.289 -2.044 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.122 1.329 -1.376 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.559 -2.680 -0.067 0.00 0.00 +0.272 A ATOM 34 O LIG 1 7.118 -3.621 -0.619 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 5.723 -2.850 1.009 0.00 0.00 -0.242 N ATOM 36 H LIG 1 5.573 -3.800 1.333 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 6.294 1.060 -0.281 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.078 -1.864 1.688 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4