REMARK Name = BDB006973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.147 0.552 0.521 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.232 0.619 0.416 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -2.086 1.132 -0.577 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -3.420 0.871 -0.231 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -4.473 1.280 -1.044 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -4.182 1.980 -2.213 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -2.852 2.267 -2.554 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -3.506 0.086 1.068 0.00 0.00 +0.022 C ATOM 9 C LIG 1 -3.911 -1.390 0.807 0.00 0.00 +0.049 C ATOM 10 C LIG 1 -5.376 -1.371 1.129 0.00 0.00 -0.043 A ATOM 11 C LIG 1 -5.720 -0.226 1.853 0.00 0.00 -0.043 A ATOM 12 C LIG 1 -7.019 -0.019 2.288 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -7.982 -0.981 1.977 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.636 -2.130 1.250 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -6.322 -2.335 0.825 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.525 0.648 2.088 0.00 0.00 +0.049 C ATOM 17 C LIG 1 -1.796 1.845 -1.729 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -2.056 0.216 1.566 0.00 0.00 +0.126 C ATOM 19 O LIG 1 0.670 0.303 1.613 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 20 ATOM 20 C LIG 1 -2.566 3.005 -3.750 0.00 0.00 +0.099 C ATOM 21 N LIG 1 -2.319 3.599 -4.715 0.00 0.00 -0.191 NA ENDBRANCH 7 20 BRANCH 1 22 ATOM 22 C LIG 1 0.994 0.763 -0.744 0.00 0.00 +0.181 C BRANCH 22 24 ATOM 23 C LIG 1 3.283 0.657 -1.654 0.00 0.00 +0.092 C ATOM 24 N LIG 1 2.329 0.136 -0.639 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 2.256 -1.336 -0.659 0.00 0.00 +0.103 C ATOM 26 C LIG 1 3.666 -1.980 -0.546 0.00 0.00 +0.065 C ATOM 27 C LIG 1 3.568 -3.501 -0.647 0.00 0.00 +0.025 C ATOM 28 N LIG 1 4.647 -1.514 -1.546 0.00 0.00 -0.311 NA ATOM 29 H LIG 1 5.447 -1.118 -1.035 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 4.104 -0.444 -2.389 0.00 0.00 +0.102 C BRANCH 23 31 ATOM 31 C LIG 1 4.191 1.737 -1.026 0.00 0.00 +0.163 C BRANCH 31 35 ATOM 32 C LIG 1 6.259 0.482 3.368 0.00 0.00 +0.047 C ATOM 33 C LIG 1 6.009 0.747 1.935 0.00 0.00 -0.013 A ATOM 34 C LIG 1 4.848 1.198 1.344 0.00 0.00 +0.111 A ATOM 35 N LIG 1 5.096 1.269 0.003 0.00 0.00 -0.270 N ATOM 36 N LIG 1 6.351 0.899 -0.323 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 6.902 0.585 0.852 0.00 0.00 +0.137 A ENDBRANCH 31 35 ENDBRANCH 23 31 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 5