REMARK Name = BDB039177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.246 0.624 -0.280 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.318 -0.271 0.224 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.911 0.093 0.107 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.969 -0.768 0.908 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.422 -1.885 1.647 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.525 -2.662 2.392 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.156 -2.378 2.413 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.713 -1.279 1.665 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.539 -0.708 1.464 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.372 0.340 0.574 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.904 0.495 0.276 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.895 -2.208 1.679 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.585 -0.494 0.925 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.617 -1.680 0.443 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.969 1.751 -0.674 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.447 1.228 0.006 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.274 1.387 -1.521 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.925 2.668 -2.027 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.251 3.906 -1.424 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.722 3.680 0.002 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.484 2.581 0.743 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.193 5.086 -1.507 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.178 5.955 -2.364 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.146 5.093 -0.556 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.668 5.898 -0.759 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.497 1.017 -0.796 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.511 0.117 -0.290 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.743 -1.191 2.144 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -2.672 -0.123 2.724 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.437 -2.354 1.408 0.00 0.00 +0.056 C BRANCH 30 31 ATOM 31 C LIG 1 -3.124 -2.071 0.067 0.00 0.00 +0.120 C ATOM 32 O LIG 1 -3.330 -3.344 -0.563 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -3.695 -3.228 -1.941 0.00 0.00 +0.160 C ATOM 34 C LIG 1 -4.660 -2.074 -2.206 0.00 0.00 +0.028 C ATOM 35 C LIG 1 -5.441 -1.729 -0.949 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -4.492 -1.386 0.203 0.00 0.00 +0.032 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7