REMARK Name = BDB034786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.414 -3.592 2.621 0.00 0.00 +0.154 C ATOM 2 N LIG 1 2.804 -2.617 1.646 0.00 0.00 -0.295 N ATOM 3 C LIG 1 2.028 -1.526 1.237 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.770 -0.791 0.313 0.00 0.00 +0.072 A ATOM 5 C LIG 1 2.279 0.365 -0.261 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.981 0.784 0.087 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.254 0.035 1.044 0.00 0.00 +0.025 A ATOM 8 N LIG 1 4.004 -1.436 0.143 0.00 0.00 -0.292 N ATOM 9 C LIG 1 0.767 -1.134 1.623 0.00 0.00 +0.030 A ATOM 10 C LIG 1 4.053 -2.565 0.990 0.00 0.00 +0.330 A ATOM 11 O LIG 1 4.992 -3.333 1.132 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 0.493 1.990 -0.464 0.00 0.00 -0.298 N ATOM 13 H LIG 1 1.088 2.354 -1.202 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 -0.847 2.418 -0.668 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -1.077 3.718 -1.095 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 0.182 4.837 -1.445 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 -2.392 4.082 -1.246 0.00 0.00 +0.137 A ATOM 18 N LIG 1 -3.426 3.254 -1.005 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 -3.136 2.010 -0.595 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -1.875 1.580 -0.417 0.00 0.00 -0.198 NA BRANCH 19 21 ATOM 21 N LIG 1 -4.166 1.133 -0.373 0.00 0.00 -0.299 N ATOM 22 C LIG 1 -3.920 -0.107 0.332 0.00 0.00 +0.111 C ATOM 23 C LIG 1 -5.315 -0.717 0.478 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -6.241 0.509 0.586 0.00 0.00 +0.011 C ATOM 25 C LIG 1 -7.658 0.259 0.055 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -8.066 -1.198 0.238 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -7.139 -2.147 -0.528 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -5.714 -1.612 -0.697 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.512 1.639 -0.167 0.00 0.00 +0.111 C ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 30 ATOM 30 C LIG 1 5.098 -0.962 -0.670 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 5.986 0.022 0.096 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 7.112 0.637 -0.752 0.00 0.00 +0.062 C ATOM 33 C LIG 1 8.072 -0.417 -1.306 0.00 0.00 +0.041 C ATOM 34 C LIG 1 7.885 1.662 0.084 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 O LIG 1 6.514 1.328 -1.853 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 7.228 1.742 -2.368 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 7