REMARK Name = BDB007195 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.938 -0.563 1.337 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -2.984 0.227 2.496 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -1.922 1.096 2.762 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -0.813 1.142 1.905 0.00 0.00 -0.030 A ATOM 5 C LIG 1 0.323 2.102 2.128 0.00 0.00 +0.132 C ATOM 6 C LIG 1 1.679 1.540 1.719 0.00 0.00 +0.225 C ATOM 7 N LIG 1 1.682 0.624 0.651 0.00 0.00 -0.260 N ATOM 8 C LIG 1 0.445 0.443 -0.152 0.00 0.00 +0.142 C ATOM 9 O LIG 1 2.670 1.895 2.360 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -0.760 0.323 0.768 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -1.826 -0.538 0.491 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 0.316 1.521 -1.247 0.00 0.00 -0.022 A ATOM 13 C LIG 1 1.281 1.577 -2.272 0.00 0.00 +0.007 A ATOM 14 C LIG 1 1.206 2.530 -3.292 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.155 3.440 -3.310 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.059 4.614 -4.564 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.821 3.401 -2.320 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.742 2.449 -1.298 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 2.889 -0.045 0.235 0.00 0.00 +0.037 A ATOM 20 C LIG 1 4.147 0.555 0.376 0.00 0.00 +0.024 A ATOM 21 C LIG 1 5.319 -0.083 -0.059 0.00 0.00 +0.010 A ATOM 22 C LIG 1 5.273 -1.349 -0.651 0.00 0.00 -0.015 A ATOM 23 C LIG 1 4.024 -1.963 -0.781 0.00 0.00 +0.010 A ATOM 24 C LIG 1 2.853 -1.322 -0.343 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 6.477 -2.022 -1.111 0.00 0.00 +0.019 A ATOM 26 C LIG 1 7.688 -1.414 -1.376 0.00 0.00 +0.113 A ATOM 27 N LIG 1 8.539 -2.399 -1.786 0.00 0.00 -0.284 N ATOM 28 H LIG 1 9.515 -2.315 -2.054 0.00 0.00 +0.188 HD ATOM 29 N LIG 1 7.973 -3.615 -1.819 0.00 0.00 -0.182 NA ATOM 30 C LIG 1 6.722 -3.386 -1.407 0.00 0.00 +0.142 A ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 31 ATOM 31 O LIG 1 -4.107 0.105 3.271 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -4.059 0.666 4.575 0.00 0.00 +0.277 C ENDBRANCH 2 31 BRANCH 1 33 ATOM 33 O LIG 1 -3.967 -1.432 1.069 0.00 0.00 -0.485 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.753 -1.024 -0.068 0.00 0.00 +0.170 C ATOM 35 C LIG 1 -6.001 -0.301 0.438 0.00 0.00 +0.052 C BRANCH 34 37 ATOM 36 C LIG 1 -5.821 -2.052 -2.153 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.098 -2.305 -0.841 0.00 0.00 +0.041 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 7