REMARK Name = BDB055092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.304 -0.122 -1.700 0.00 0.00 +0.077 A ATOM 2 C LIG 1 0.008 -0.040 -1.182 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -1.135 -0.296 -1.917 0.00 0.00 +0.180 A ATOM 4 N LIG 1 -2.259 -0.131 -1.160 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.840 0.214 0.047 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -1.112 -0.659 -3.217 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 0.135 -0.751 -3.735 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.465 0.282 0.062 0.00 0.00 -0.335 N ATOM 9 H LIG 1 0.121 0.534 0.842 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 1.332 -0.505 -3.055 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 2.806 -0.693 -3.938 0.00 0.00 -0.080 Cl ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 5.194 0.619 -0.008 0.00 0.00 -0.294 NA ATOM 13 C LIG 1 4.774 -0.599 -0.744 0.00 0.00 +0.103 C ATOM 14 C LIG 1 3.281 -0.960 -0.555 0.00 0.00 +0.120 C ATOM 15 N LIG 1 2.377 0.171 -0.867 0.00 0.00 -0.325 N ATOM 16 C LIG 1 3.055 1.446 -1.162 0.00 0.00 +0.120 C ATOM 17 C LIG 1 4.182 1.695 -0.132 0.00 0.00 +0.103 C BRANCH 12 18 ATOM 18 C LIG 1 6.521 1.084 -0.458 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 9.889 -2.027 1.810 0.00 0.00 +0.089 C ATOM 20 C LIG 1 9.015 -1.208 0.953 0.00 0.00 +0.135 A ATOM 21 O LIG 1 9.195 -1.335 -0.389 0.00 0.00 -0.360 OA ATOM 22 N LIG 1 8.304 -0.512 -1.055 0.00 0.00 -0.082 NA ATOM 23 C LIG 1 7.593 0.103 -0.099 0.00 0.00 +0.098 A ATOM 24 C LIG 1 8.011 -0.304 1.191 0.00 0.00 +0.072 A ENDBRANCH 18 23 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 C LIG 1 -2.698 0.500 1.204 0.00 0.00 +0.021 A ATOM 26 C LIG 1 -4.083 0.653 1.005 0.00 0.00 +0.057 A ATOM 27 C LIG 1 -4.939 0.925 2.073 0.00 0.00 +0.121 A ATOM 28 C LIG 1 -4.407 1.035 3.359 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -3.039 0.883 3.578 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.188 0.617 2.505 0.00 0.00 +0.012 A BRANCH 27 31 ATOM 31 O LIG 1 -6.294 1.088 2.009 0.00 0.00 -0.491 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.923 1.142 0.724 0.00 0.00 +0.244 C BRANCH 32 33 ATOM 33 C LIG 1 -7.333 -0.265 0.255 0.00 0.00 +0.124 C BRANCH 33 34 ATOM 34 N LIG 1 -7.987 -0.286 -1.068 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 -9.331 0.291 -1.022 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -8.056 -1.662 -1.568 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 5 25 TORSDOF 8