REMARK Name = BDB024617 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.794 1.099 -0.969 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.966 0.162 -0.325 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.536 -1.117 0.166 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.461 -0.888 1.376 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.500 -2.175 0.579 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.321 -2.166 -0.366 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.702 -0.801 -0.298 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.302 -0.620 -0.294 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.312 -1.566 -0.330 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.831 -0.908 -0.338 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.612 0.456 -0.246 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.757 0.657 -0.259 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.563 1.798 -0.239 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.952 1.611 -0.257 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.538 0.338 -0.291 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.441 2.167 -1.458 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.628 1.506 -0.194 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.526 2.401 1.063 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -1.942 3.852 0.802 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -3.155 3.884 -0.120 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -4.474 3.380 0.519 0.00 0.00 +0.169 C ATOM 22 O LIG 1 -5.176 4.566 0.069 0.00 0.00 -0.379 OA ATOM 23 C LIG 1 -3.911 5.232 -0.170 0.00 0.00 +0.169 C ATOM 24 C LIG 1 -2.857 3.306 -1.514 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -1.681 2.322 -1.492 0.00 0.00 +0.026 C ENDBRANCH 11 17 BRANCH 1 27 ATOM 26 C LIG 1 7.972 1.578 -1.722 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.092 0.675 -1.050 0.00 0.00 -0.453 OA ENDBRANCH 1 27 BRANCH 10 28 ATOM 28 C LIG 1 -2.157 -1.599 -0.454 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 -2.426 -2.499 0.766 0.00 0.00 +0.135 C BRANCH 29 30 ATOM 30 C LIG 1 -3.465 -3.561 0.428 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -4.837 -3.265 0.400 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.768 -4.255 0.084 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.341 -5.546 -0.219 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.981 -5.848 -0.211 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.046 -4.862 0.108 0.00 0.00 +0.004 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -2.833 -1.671 1.979 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -3.074 -0.472 1.963 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.936 -2.398 3.119 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -2.778 -3.354 2.982 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 29 36 ENDBRANCH 28 29 ENDBRANCH 10 28 TORSDOF 7