REMARK Name = BDB059962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.350 -0.031 0.691 0.00 0.00 +0.220 C ATOM 2 N LIG 1 1.148 0.486 0.230 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -0.082 -0.310 0.489 0.00 0.00 +0.124 C ATOM 4 C LIG 1 -1.333 0.559 0.583 0.00 0.00 -0.021 A ATOM 5 C LIG 1 -1.475 1.689 -0.246 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.677 2.416 -0.234 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -3.706 2.043 0.636 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.548 0.956 1.494 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.296 2.053 -1.110 0.00 0.00 +0.055 C ATOM 10 C LIG 1 -2.367 0.218 1.469 0.00 0.00 +0.006 A ATOM 11 C LIG 1 0.992 1.845 -0.311 0.00 0.00 +0.113 C ATOM 12 O LIG 1 2.405 -1.125 1.263 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.762 0.397 1.452 0.00 0.00 +0.109 C ATOM 14 C LIG 1 3.641 0.758 0.453 0.00 0.00 +0.089 C ATOM 15 C LIG 1 4.124 0.545 -0.993 0.00 0.00 +0.013 C ATOM 16 C LIG 1 4.759 -0.828 -1.217 0.00 0.00 +0.001 C ATOM 17 C LIG 1 5.896 -1.097 -0.239 0.00 0.00 +0.001 C ATOM 18 C LIG 1 5.436 -0.959 1.208 0.00 0.00 +0.015 C BRANCH 13 20 ATOM 19 O LIG 1 4.685 1.563 3.556 0.00 0.00 -0.251 OA ATOM 20 C LIG 1 4.343 0.589 2.900 0.00 0.00 +0.309 C BRANCH 20 21 ATOM 21 O LIG 1 3.550 -0.369 3.416 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 3.212 -1.022 2.755 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 1 14 BRANCH 6 23 ATOM 23 C LIG 1 -2.884 3.547 -1.090 0.00 0.00 -0.064 C ATOM 24 C LIG 1 -3.051 4.494 -1.809 0.00 0.00 -0.069 C BRANCH 24 25 ATOM 25 C LIG 1 -3.244 5.647 -2.686 0.00 0.00 +0.244 C BRANCH 25 26 ATOM 26 O LIG 1 -2.249 6.626 -2.421 0.00 0.00 -0.383 OA ATOM 27 H LIG 1 -2.276 6.797 -1.464 0.00 0.00 +0.211 HD ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 23 BRANCH 3 28 ATOM 28 C LIG 1 -0.211 -1.422 -0.594 0.00 0.00 +0.144 C BRANCH 28 29 ATOM 29 N LIG 1 -1.446 -2.184 -0.548 0.00 0.00 -0.232 N ATOM 30 C LIG 1 -2.452 -2.058 -1.467 0.00 0.00 +0.254 C ATOM 31 O LIG 1 -2.501 -1.368 -2.467 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -3.526 -2.948 -1.029 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.110 -3.561 0.140 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -3.906 -4.463 0.817 0.00 0.00 +0.014 A ATOM 35 C LIG 1 -5.162 -4.742 0.269 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.586 -4.118 -0.924 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.761 -3.205 -1.589 0.00 0.00 +0.014 A ATOM 38 C LIG 1 -1.774 -3.055 0.452 0.00 0.00 +0.254 C ATOM 39 O LIG 1 -1.139 -3.357 1.443 0.00 0.00 -0.270 OA ENDBRANCH 28 29 ENDBRANCH 3 28 TORSDOF 8