REMARK Name = BDB063222 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.293 2.510 0.621 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -3.161 1.498 -0.525 0.00 0.00 +0.018 C ATOM 3 C LIG 1 -2.073 0.480 -0.225 0.00 0.00 -0.024 A ATOM 4 C LIG 1 -0.706 0.941 -0.354 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.349 0.141 -0.132 0.00 0.00 +0.102 A ATOM 6 C LIG 1 0.088 -1.277 0.254 0.00 0.00 +0.263 A ATOM 7 N LIG 1 -1.250 -1.683 0.334 0.00 0.00 -0.315 N ATOM 8 C LIG 1 -1.504 -3.075 0.692 0.00 0.00 +0.152 C ATOM 9 O LIG 1 1.040 -2.029 0.479 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 -2.318 -0.805 0.106 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -3.736 -1.333 0.227 0.00 0.00 +0.054 C ATOM 12 C LIG 1 -4.825 -0.260 0.204 0.00 0.00 +0.007 C ATOM 13 C LIG 1 -4.510 0.822 -0.819 0.00 0.00 +0.008 C ENDROOT BRANCH 5 14 ATOM 14 C LIG 1 1.722 0.733 -0.291 0.00 0.00 +0.254 C ATOM 15 N LIG 1 2.757 -0.142 -0.041 0.00 0.00 -0.281 N ATOM 16 H LIG 1 2.489 -1.091 0.226 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 1.847 1.910 -0.620 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.143 0.103 -0.103 0.00 0.00 +0.034 A ATOM 19 C LIG 1 4.709 1.332 -0.446 0.00 0.00 +0.023 A ATOM 20 C LIG 1 6.099 1.486 -0.483 0.00 0.00 +0.002 A ATOM 21 C LIG 1 6.934 0.414 -0.178 0.00 0.00 +0.000 A ATOM 22 C LIG 1 6.380 -0.816 0.166 0.00 0.00 +0.002 A ATOM 23 C LIG 1 4.992 -0.970 0.203 0.00 0.00 +0.023 A ENDBRANCH 15 18 ENDBRANCH 5 14 TORSDOF 2