REMARK Name = BDB007255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.276 0.037 1.704 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.818 0.151 0.386 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.452 0.251 0.116 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.509 0.157 1.151 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.024 0.185 0.843 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.169 0.580 1.988 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -2.578 0.391 3.310 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -3.959 -0.182 3.563 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.888 0.657 4.300 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.957 -0.001 2.462 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.335 -0.057 2.736 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.547 -1.124 0.201 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.988 -1.104 -1.089 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -1.529 -2.279 -1.689 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.623 -3.489 -1.008 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.059 -4.935 -1.748 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.174 -3.531 0.268 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.632 -2.356 0.870 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -0.806 0.953 1.688 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.492 1.731 0.564 0.00 0.00 +0.024 A ATOM 21 C LIG 1 0.836 2.029 0.231 0.00 0.00 +0.006 A ATOM 22 C LIG 1 1.898 1.548 1.006 0.00 0.00 -0.036 A ATOM 23 C LIG 1 1.589 0.787 2.140 0.00 0.00 +0.006 A ATOM 24 C LIG 1 0.260 0.501 2.476 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 3.354 1.828 0.649 0.00 0.00 +0.102 C ATOM 26 C LIG 1 3.650 3.329 0.617 0.00 0.00 +0.022 C BRANCH 25 27 ATOM 27 C LIG 1 3.790 1.188 -0.686 0.00 0.00 +0.223 C ATOM 28 N LIG 1 5.155 0.900 -0.876 0.00 0.00 -0.301 N ATOM 29 C LIG 1 5.475 0.133 -2.084 0.00 0.00 +0.109 C ATOM 30 C LIG 1 6.927 0.281 -2.525 0.00 0.00 +0.038 C ATOM 31 C LIG 1 7.881 -0.039 -1.366 0.00 0.00 +0.059 C ATOM 32 C LIG 1 7.561 0.903 -0.197 0.00 0.00 +0.038 C ATOM 33 C LIG 1 6.101 0.773 0.233 0.00 0.00 +0.109 C ATOM 34 O LIG 1 2.973 0.982 -1.588 0.00 0.00 -0.275 OA BRANCH 31 35 ATOM 35 N LIG 1 9.288 -0.045 -1.821 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 10.169 -0.720 -0.870 0.00 0.00 +0.104 C ATOM 37 C LIG 1 9.833 1.265 -2.169 0.00 0.00 +0.104 C ENDBRANCH 31 35 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 39 ATOM 38 C LIG 1 -9.126 0.072 3.206 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -8.635 0.000 1.876 0.00 0.00 -0.491 OA ENDBRANCH 1 39 BRANCH 2 40 ATOM 40 O LIG 1 -7.712 0.266 -0.646 0.00 0.00 -0.486 OA BRANCH 40 41 ATOM 41 C LIG 1 -7.960 -0.934 -1.407 0.00 0.00 +0.167 C ATOM 42 C LIG 1 -6.883 -1.172 -2.464 0.00 0.00 +0.051 C ATOM 43 C LIG 1 -8.232 -2.193 -0.582 0.00 0.00 +0.051 C ENDBRANCH 40 41 ENDBRANCH 2 40 TORSDOF 8