REMARK Name = BDB009041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.003 -0.834 0.280 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.691 0.388 0.249 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.316 0.901 1.398 0.00 0.00 -0.040 A ATOM 4 C LIG 1 -1.206 0.188 2.599 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.517 -1.024 2.638 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.082 -1.536 1.484 0.00 0.00 +0.023 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 1.614 -3.280 -0.307 0.00 0.00 -0.275 OA ATOM 8 C LIG 1 1.319 -2.430 -1.145 0.00 0.00 +0.222 C ATOM 9 N LIG 1 0.578 -1.278 -0.929 0.00 0.00 -0.285 N ATOM 10 H LIG 1 0.485 -0.651 -1.720 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 1.740 -2.594 -2.599 0.00 0.00 +0.131 C BRANCH 11 12 ATOM 12 C LIG 1 2.681 -1.510 -3.072 0.00 0.00 -0.035 A ATOM 13 C LIG 1 3.969 -1.409 -2.521 0.00 0.00 +0.050 A ATOM 14 C LIG 1 4.832 -0.387 -2.929 0.00 0.00 +0.129 A ATOM 15 C LIG 1 4.434 0.511 -3.920 0.00 0.00 +0.046 A ATOM 16 C LIG 1 3.159 0.412 -4.480 0.00 0.00 +0.004 A ATOM 17 C LIG 1 2.284 -0.592 -4.055 0.00 0.00 +0.004 A BRANCH 14 18 ATOM 18 O LIG 1 6.114 -0.249 -2.448 0.00 0.00 -0.456 OA BRANCH 18 19 ATOM 19 C LIG 1 6.302 -0.344 -1.088 0.00 0.00 +0.128 A ATOM 20 C LIG 1 5.488 0.311 -0.160 0.00 0.00 +0.046 A ATOM 21 C LIG 1 5.760 0.195 1.205 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.856 -0.555 1.639 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.688 -1.180 0.709 0.00 0.00 +0.004 A ATOM 24 C LIG 1 7.414 -1.069 -0.656 0.00 0.00 +0.046 A ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 -2.050 2.223 1.339 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -3.428 2.191 1.997 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.547 1.437 1.346 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.365 0.779 0.007 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.693 0.406 -0.661 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.630 -0.273 0.332 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.926 0.639 1.523 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.714 1.384 2.016 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.858 2.093 3.312 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -6.906 2.068 3.949 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.758 2.783 3.743 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.835 3.274 4.627 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.546 2.829 3.124 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7