REMARK Name = BDB054688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.658 -0.256 0.354 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.928 -0.561 0.034 0.00 0.00 -0.196 NA ATOM 3 C LIG 1 -2.635 0.476 -0.443 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -2.166 1.765 -0.620 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.236 2.536 -1.131 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -4.339 1.709 -1.240 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -0.841 1.984 -0.274 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -3.953 0.438 -0.850 0.00 0.00 -0.320 N ATOM 9 N LIG 1 -0.099 0.963 0.210 0.00 0.00 -0.222 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.644 2.070 -1.694 0.00 0.00 +0.085 A ATOM 11 N LIG 1 -6.755 2.221 -0.900 0.00 0.00 -0.265 N ATOM 12 C LIG 1 -6.854 2.098 0.535 0.00 0.00 +0.173 C ATOM 13 N LIG 1 -7.869 2.529 -1.599 0.00 0.00 -0.179 NA ATOM 14 C LIG 1 -7.435 2.637 -2.856 0.00 0.00 +0.135 A ATOM 15 C LIG 1 -6.060 2.369 -2.974 0.00 0.00 +0.051 A ENDBRANCH 6 10 BRANCH 8 16 ATOM 16 C LIG 1 -4.778 -0.761 -0.889 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -4.199 -1.913 -1.735 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -4.097 -3.105 -0.790 0.00 0.00 +0.002 C ATOM 19 C LIG 1 -5.179 -2.852 0.245 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -5.077 -1.355 0.495 0.00 0.00 +0.025 C ENDBRANCH 8 16 BRANCH 1 21 ATOM 21 N LIG 1 0.077 -1.331 0.863 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.537 -2.135 0.870 0.00 0.00 +0.155 HD BRANCH 21 27 ATOM 23 C LIG 1 3.500 -1.016 1.898 0.00 0.00 +0.106 A ATOM 24 N LIG 1 3.186 -2.338 2.151 0.00 0.00 -0.344 N ATOM 25 C LIG 1 4.086 -3.322 2.712 0.00 0.00 +0.149 C ATOM 26 C LIG 1 1.895 -2.602 1.765 0.00 0.00 +0.109 A ATOM 27 C LIG 1 1.344 -1.431 1.304 0.00 0.00 +0.052 A ATOM 28 C LIG 1 2.337 -0.435 1.408 0.00 0.00 +0.055 A BRANCH 23 34 ATOM 29 C LIG 1 8.279 1.158 -1.700 0.00 0.00 +0.105 C ATOM 30 N LIG 1 7.265 0.624 -0.800 0.00 0.00 -0.302 NA ATOM 31 C LIG 1 7.676 0.730 0.619 0.00 0.00 +0.103 C ATOM 32 C LIG 1 6.563 1.183 1.588 0.00 0.00 +0.123 C ATOM 33 N LIG 1 5.292 0.531 1.291 0.00 0.00 -0.294 N ATOM 34 C LIG 1 4.791 -0.412 2.188 0.00 0.00 +0.263 C ATOM 35 O LIG 1 5.428 -0.734 3.191 0.00 0.00 -0.268 OA ATOM 36 C LIG 1 4.869 0.610 -0.115 0.00 0.00 +0.123 C ATOM 37 C LIG 1 5.944 1.224 -1.038 0.00 0.00 +0.103 C ENDBRANCH 23 34 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 5