REMARK Name = BDB011350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.071 -0.930 0.319 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.174 -0.275 -0.541 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.085 -0.617 -0.139 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.490 -0.337 -0.540 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.219 -1.268 0.395 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.324 -1.920 1.290 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.551 -2.712 2.189 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.009 -1.497 0.899 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.331 -1.700 1.214 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.602 -1.474 0.369 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.276 -2.102 1.354 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.652 -2.282 1.336 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.272 -2.953 2.470 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.460 -1.813 0.299 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.683 -1.929 0.275 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.720 -1.149 -0.818 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.615 -0.594 -2.181 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.388 -1.009 -0.764 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 6.230 -0.734 0.055 0.00 0.00 +0.321 A ATOM 20 N LIG 1 5.614 0.325 0.592 0.00 0.00 -0.159 NA ATOM 21 C LIG 1 4.272 0.247 0.684 0.00 0.00 +0.230 A ATOM 22 C LIG 1 3.528 -0.835 0.239 0.00 0.00 +0.078 A ATOM 23 C LIG 1 4.280 -1.867 -0.287 0.00 0.00 +0.131 A ATOM 24 N LIG 1 5.624 -1.843 -0.399 0.00 0.00 -0.202 NA BRANCH 19 26 ATOM 25 C LIG 1 8.230 -1.781 -0.543 0.00 0.00 +0.280 C ATOM 26 O LIG 1 7.600 -0.617 -0.025 0.00 0.00 -0.466 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 3.581 1.306 1.246 0.00 0.00 -0.479 OA ATOM 28 C LIG 1 4.428 2.336 1.748 0.00 0.00 +0.279 C ENDBRANCH 21 27 ENDBRANCH 1 22 BRANCH 4 29 ATOM 29 C LIG 1 -1.901 1.115 -0.336 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.402 1.865 -1.414 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.794 3.196 -1.240 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -2.690 3.801 0.016 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -2.194 3.068 1.096 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -1.804 1.737 0.922 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -3.085 5.168 0.192 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -3.401 6.276 0.329 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.567 0.547 -1.689 0.00 0.00 +0.081 C ATOM 38 C LIG 1 1.425 2.043 -1.420 0.00 0.00 +0.030 C ATOM 39 C LIG 1 0.872 0.137 -2.988 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 7