REMARK Name = BDB049109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.096 -2.803 -1.211 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.506 -1.865 -0.283 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.664 -1.281 -0.751 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.891 -1.903 -1.973 0.00 0.00 +0.089 A ATOM 5 C LIG 1 3.006 -1.538 -2.737 0.00 0.00 +0.030 A ATOM 6 C LIG 1 3.869 -0.548 -2.244 0.00 0.00 +0.011 A ATOM 7 C LIG 1 3.643 0.082 -1.009 0.00 0.00 -0.016 A ATOM 8 C LIG 1 2.518 -0.289 -0.244 0.00 0.00 +0.036 A ATOM 9 N LIG 1 0.922 -2.833 -2.239 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.566 1.118 -0.517 0.00 0.00 -0.018 A ATOM 11 C LIG 1 4.103 2.395 -0.169 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.984 3.375 0.301 0.00 0.00 +0.046 A ATOM 13 C LIG 1 6.346 3.103 0.435 0.00 0.00 +0.120 A ATOM 14 C LIG 1 6.822 1.839 0.093 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.939 0.858 -0.378 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 O LIG 1 7.094 4.147 0.905 0.00 0.00 -0.495 OA ATOM 17 C LIG 1 8.491 3.923 1.044 0.00 0.00 +0.277 C ENDBRANCH 13 16 ENDBRANCH 7 10 BRANCH 1 18 ATOM 18 C LIG 1 -1.114 -3.670 -1.074 0.00 0.00 +0.074 C BRANCH 18 20 ATOM 19 C LIG 1 -1.999 -5.889 -0.277 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -0.769 -5.005 -0.415 0.00 0.00 +0.004 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.123 -1.582 1.000 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -1.346 -0.703 0.882 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -1.324 0.500 0.163 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -2.464 1.307 0.086 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.653 0.938 0.729 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.666 -0.255 1.466 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -2.527 -1.062 1.546 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -4.851 1.786 0.647 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -6.021 1.404 -0.041 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -7.168 2.212 -0.019 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.154 3.429 0.660 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.000 3.837 1.323 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.863 3.023 1.320 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -6.117 0.145 -0.803 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -7.001 -0.684 -0.699 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.144 0.049 -1.724 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -5.313 -0.800 -2.180 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9