REMARK Name = BDB016791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.524 1.033 -0.292 0.00 0.00 -0.252 N ATOM 2 C LIG 1 0.623 -0.176 -0.359 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.693 0.483 -0.387 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.615 1.832 -0.310 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.841 2.399 -0.323 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.691 1.379 -0.392 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -2.013 0.158 -0.473 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.764 2.250 -0.247 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.146 3.407 -0.193 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.911 3.371 0.059 0.00 0.00 +0.047 C ATOM 11 C LIG 1 5.125 2.104 -0.166 0.00 0.00 -0.004 A ATOM 12 C LIG 1 5.760 0.848 -0.412 0.00 0.00 +0.164 A ATOM 13 N LIG 1 4.957 -0.260 -0.592 0.00 0.00 -0.285 N ATOM 14 C LIG 1 5.831 -1.308 -0.791 0.00 0.00 +0.135 A ATOM 15 N LIG 1 7.068 -0.858 -0.744 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.417 -2.710 -1.015 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.566 -0.223 -0.563 0.00 0.00 +0.118 A ATOM 18 C LIG 1 2.919 0.942 -0.337 0.00 0.00 +0.055 A ATOM 19 N LIG 1 7.024 0.496 -0.504 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 3.769 2.125 -0.132 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.771 -1.122 0.823 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.837 -0.647 2.145 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.957 -1.535 3.217 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.008 -2.906 2.979 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.152 -4.000 4.298 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.939 -3.397 1.678 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.819 -2.510 0.605 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.112 1.469 -0.418 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -4.897 1.894 -1.638 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.381 1.575 -1.480 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.861 2.087 -0.239 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.258 1.441 0.882 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.773 1.285 0.742 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.517 -1.202 -0.632 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -3.065 -1.788 0.667 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.489 -1.388 -1.797 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4