REMARK Name = BDB039150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.595 -2.479 0.120 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.769 -1.607 -0.568 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.384 -1.511 -0.122 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.611 -0.359 -0.711 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.176 0.503 -1.679 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.439 1.576 -2.196 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.119 1.815 -1.802 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.557 0.944 -0.861 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.685 0.860 -0.256 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.657 -0.216 0.621 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.515 -0.813 0.576 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.606 0.300 -2.112 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.277 -0.117 -0.322 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.057 -1.145 -1.919 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.279 -3.048 1.159 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.805 -0.656 1.499 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -2.817 -1.505 0.712 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.312 -2.927 0.439 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -1.919 -3.644 1.732 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -0.881 -2.847 2.516 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.326 -1.402 2.761 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -3.332 -3.708 -0.369 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.167 -4.022 -1.539 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.476 -4.001 0.287 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.510 -3.693 1.210 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.688 -3.525 0.205 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.806 -2.636 -0.481 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.825 1.752 -0.492 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.311 1.683 -1.944 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.525 3.185 -0.007 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.772 4.016 0.184 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.540 3.881 1.350 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.702 4.634 1.522 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.107 5.527 0.532 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.350 5.670 -0.629 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.187 4.918 -0.803 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7