REMARK Name = BDB007274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.556 -1.602 1.544 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.391 -0.226 1.365 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -4.159 0.302 0.970 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -3.066 -0.540 0.701 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.774 0.035 0.149 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -0.580 -0.837 0.291 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -0.695 -2.204 0.555 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -2.073 -2.831 0.622 0.00 0.00 +0.132 C ATOM 9 O LIG 1 0.267 -2.959 0.737 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.217 -1.909 0.890 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.458 -2.437 1.304 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -1.975 0.505 -1.302 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.998 -0.407 -2.376 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.218 0.039 -3.686 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.420 1.399 -3.933 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.707 1.942 -5.544 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.401 2.318 -2.884 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.179 1.874 -1.575 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 0.714 -0.253 -0.010 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.991 1.100 0.245 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.231 1.669 -0.089 0.00 0.00 +0.007 A ATOM 22 C LIG 1 3.234 0.909 -0.706 0.00 0.00 -0.027 A ATOM 23 C LIG 1 2.960 -0.436 -0.972 0.00 0.00 +0.007 A ATOM 24 C LIG 1 1.727 -1.005 -0.623 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 4.563 1.547 -1.083 0.00 0.00 +0.103 C ATOM 26 C LIG 1 4.721 1.689 -2.603 0.00 0.00 +0.033 C BRANCH 25 27 ATOM 27 N LIG 1 5.713 0.948 -0.376 0.00 0.00 -0.292 N ATOM 28 C LIG 1 6.359 -0.191 -0.863 0.00 0.00 +0.233 C ATOM 29 O LIG 1 6.113 -0.684 -1.965 0.00 0.00 -0.274 OA ATOM 30 C LIG 1 7.487 -0.796 -0.006 0.00 0.00 +0.203 C ATOM 31 N LIG 1 7.725 -0.259 1.332 0.00 0.00 -0.291 N ATOM 32 C LIG 1 8.697 -0.894 2.093 0.00 0.00 +0.213 C ATOM 33 O LIG 1 9.232 -1.944 1.736 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 9.093 -0.246 3.398 0.00 0.00 +0.109 C ATOM 35 C LIG 1 7.272 1.104 1.557 0.00 0.00 +0.127 C ATOM 36 C LIG 1 5.847 1.278 1.042 0.00 0.00 +0.127 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 38 ATOM 37 C LIG 1 -6.971 -3.413 2.181 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -6.801 -2.024 1.932 0.00 0.00 -0.491 OA ENDBRANCH 1 38 BRANCH 2 39 ATOM 39 O LIG 1 -6.399 0.675 1.629 0.00 0.00 -0.486 OA BRANCH 39 40 ATOM 40 C LIG 1 -7.396 0.685 0.588 0.00 0.00 +0.167 C ATOM 41 C LIG 1 -7.215 1.959 -0.237 0.00 0.00 +0.051 C ATOM 42 C LIG 1 -8.771 0.676 1.251 0.00 0.00 +0.051 C ENDBRANCH 39 40 ENDBRANCH 2 39 TORSDOF 7