REMARK Name = BDB060067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.949 0.660 0.285 0.00 0.00 +0.131 A ATOM 2 C LIG 1 1.811 0.236 0.983 0.00 0.00 +0.074 A ATOM 3 C LIG 1 0.566 0.562 0.429 0.00 0.00 +0.072 A ATOM 4 C LIG 1 0.441 1.283 -0.755 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -0.877 1.459 -1.086 0.00 0.00 -0.229 NA ATOM 6 C LIG 1 -1.573 0.857 -0.139 0.00 0.00 +0.148 A ATOM 7 C LIG 1 1.593 1.724 -1.425 0.00 0.00 +0.033 A ATOM 8 N LIG 1 -0.732 0.318 0.813 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -1.137 -0.392 2.003 0.00 0.00 +0.150 C ATOM 10 C LIG 1 2.849 1.413 -0.888 0.00 0.00 +0.048 A ENDROOT BRANCH 1 11 ATOM 11 O LIG 1 4.166 0.353 0.857 0.00 0.00 -0.451 OA BRANCH 11 13 ATOM 12 C LIG 1 6.426 0.326 0.076 0.00 0.00 +0.258 A ATOM 13 C LIG 1 5.128 -0.180 0.032 0.00 0.00 +0.190 A ATOM 14 C LIG 1 4.871 -1.268 -0.804 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.901 -1.784 -1.585 0.00 0.00 +0.024 A ATOM 16 C LIG 1 7.155 -1.200 -1.489 0.00 0.00 +0.115 A ATOM 17 N LIG 1 7.443 -0.159 -0.677 0.00 0.00 -0.218 NA BRANCH 12 19 ATOM 18 C LIG 1 8.017 1.831 0.912 0.00 0.00 +0.279 C ATOM 19 O LIG 1 6.664 1.389 0.928 0.00 0.00 -0.477 OA ENDBRANCH 12 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 -3.065 0.788 -0.080 0.00 0.00 +0.303 C BRANCH 20 21 ATOM 21 O LIG 1 -3.425 -0.590 0.020 0.00 0.00 -0.484 OA BRANCH 21 22 ATOM 22 C LIG 1 -4.757 -0.885 0.099 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -5.809 0.027 0.008 0.00 0.00 +0.060 A ATOM 24 C LIG 1 -7.131 -0.431 0.108 0.00 0.00 +0.062 A ATOM 25 C LIG 1 -7.407 -1.783 0.329 0.00 0.00 +0.015 A ATOM 26 C LIG 1 -6.356 -2.692 0.413 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.039 -2.243 0.291 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 -8.266 0.512 0.018 0.00 0.00 +0.337 C ATOM 29 O LIG 1 -9.209 0.496 0.787 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -8.154 1.360 -1.026 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 -7.444 1.138 -1.658 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 8