REMARK Name = BDB055669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.158 0.310 -1.508 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.148 -0.162 -0.473 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.451 0.159 -0.871 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.540 -0.140 -0.067 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.322 -0.771 1.170 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.001 -1.082 1.563 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.457 0.880 -2.185 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -0.908 -0.763 0.752 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -1.059 0.562 -2.734 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.935 -1.957 -2.044 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.956 -0.590 -1.764 0.00 0.00 -0.316 N ATOM 12 C LIG 1 2.277 -0.196 -1.821 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.965 -1.351 -2.074 0.00 0.00 +0.096 A ATOM 14 C LIG 1 4.371 -1.340 -2.183 0.00 0.00 +0.048 A ATOM 15 C LIG 1 5.021 -0.172 -2.039 0.00 0.00 +0.091 A ATOM 16 N LIG 1 4.339 1.027 -1.793 0.00 0.00 -0.313 N ATOM 17 C LIG 1 2.926 1.086 -1.674 0.00 0.00 +0.277 A ATOM 18 O LIG 1 2.315 2.132 -1.474 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 2.163 -2.426 -2.216 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 -0.294 -3.933 -1.137 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -0.282 -2.819 -2.174 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 5.112 2.260 -1.644 0.00 0.00 +0.128 C BRANCH 22 23 ATOM 23 C LIG 1 5.797 2.389 -0.270 0.00 0.00 +0.003 C ATOM 24 C LIG 1 4.787 2.477 0.874 0.00 0.00 +0.009 C ATOM 25 C LIG 1 6.705 3.621 -0.257 0.00 0.00 +0.009 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 -4.456 -1.088 2.051 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -4.766 -0.365 3.229 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.862 -0.792 4.009 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.645 -1.886 3.640 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.346 -2.586 2.480 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.263 -2.192 1.696 0.00 0.00 +0.009 A BRANCH 27 32 ATOM 32 C LIG 1 -4.030 0.812 3.712 0.00 0.00 +0.180 A ATOM 33 N LIG 1 -3.216 1.634 2.979 0.00 0.00 -0.239 N ATOM 34 H LIG 1 -2.959 1.594 2.002 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 -2.733 2.626 3.739 0.00 0.00 -0.046 NA ATOM 36 N LIG 1 -3.255 2.422 4.937 0.00 0.00 -0.023 NA ATOM 37 N LIG 1 -4.061 1.312 4.937 0.00 0.00 -0.108 NA ENDBRANCH 27 32 ENDBRANCH 5 26 TORSDOF 6