REMARK Name = BDB042134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.069 1.130 -2.347 0.00 0.00 +0.120 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 5.443 -0.154 -0.216 0.00 0.00 -0.222 N ATOM 3 C LIG 1 4.292 0.440 0.223 0.00 0.00 +0.255 C ATOM 4 O LIG 1 4.039 0.919 1.311 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.341 0.382 -0.886 0.00 0.00 +0.050 A ATOM 6 C LIG 1 3.955 -0.286 -1.928 0.00 0.00 +0.049 A ATOM 7 C LIG 1 3.313 -0.517 -3.126 0.00 0.00 +0.014 A ATOM 8 C LIG 1 2.001 -0.045 -3.248 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.358 0.637 -2.181 0.00 0.00 -0.033 A ATOM 10 C LIG 1 2.047 0.856 -0.977 0.00 0.00 +0.018 A ATOM 11 C LIG 1 5.299 -0.651 -1.484 0.00 0.00 +0.254 C ATOM 12 O LIG 1 6.101 -1.272 -2.155 0.00 0.00 -0.270 OA BRANCH 2 19 ATOM 13 O LIG 1 8.655 -1.022 4.151 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.049 -0.832 3.100 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.096 -1.717 2.662 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.888 -2.486 3.286 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.274 -1.598 1.563 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.381 -2.418 1.362 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.604 -0.441 0.613 0.00 0.00 +0.171 C ATOM 20 C LIG 1 7.120 0.758 1.404 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.350 0.342 2.197 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 9 BRANCH 1 22 ATOM 22 N LIG 1 -1.002 0.048 -2.667 0.00 0.00 -0.293 NA ATOM 23 C LIG 1 -2.334 0.546 -3.096 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -3.193 1.028 -1.890 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.503 -0.086 -0.950 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -2.682 -1.268 -1.341 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -3.239 -1.754 -2.697 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -3.061 -0.648 -3.744 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -1.181 -0.904 -1.542 0.00 0.00 +0.104 C BRANCH 25 30 ATOM 30 C LIG 1 -3.337 0.329 0.471 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -4.200 1.542 0.851 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -3.666 2.549 1.675 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.436 3.653 2.044 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.753 3.765 1.603 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.302 2.773 0.795 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.534 1.667 0.425 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -3.583 -0.807 1.471 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.739 -1.605 1.411 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.948 -2.630 2.335 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.008 -2.870 3.334 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.859 -2.086 3.412 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.647 -1.060 2.489 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6