REMARK Name = BDB042176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.314 -2.964 -1.078 0.00 0.00 +0.025 C ATOM 2 C LIG 1 -2.120 -1.485 -1.444 0.00 0.00 +0.068 C ATOM 3 N LIG 1 -0.809 -0.904 -1.080 0.00 0.00 -0.290 NA ATOM 4 C LIG 1 -0.691 -0.449 0.324 0.00 0.00 +0.068 C ATOM 5 C LIG 1 -0.388 -1.542 1.361 0.00 0.00 +0.025 C ATOM 6 C LIG 1 -1.937 0.374 0.767 0.00 0.00 +0.104 C ATOM 7 N LIG 1 -3.201 -0.348 0.532 0.00 0.00 -0.289 NA ATOM 8 C LIG 1 -3.307 -0.626 -0.911 0.00 0.00 +0.104 C ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 0.339 -1.628 -1.624 0.00 0.00 +0.120 C BRANCH 9 10 ATOM 10 C LIG 1 1.604 -0.791 -1.678 0.00 0.00 -0.033 A ATOM 11 C LIG 1 2.759 -1.202 -0.986 0.00 0.00 +0.010 A ATOM 12 C LIG 1 3.893 -0.411 -1.061 0.00 0.00 -0.018 A ATOM 13 C LIG 1 5.226 -0.594 -0.417 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.992 0.529 -0.943 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.205 1.389 -1.696 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.522 2.457 -2.184 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.882 0.765 -1.808 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.771 1.202 -2.501 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.624 0.408 -2.433 0.00 0.00 +0.005 A BRANCH 14 20 ATOM 20 C LIG 1 7.293 0.931 -0.423 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.208 1.468 1.016 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.162 1.736 1.601 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.419 1.631 1.652 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.352 1.967 2.604 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.566 0.932 1.374 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.464 0.834 2.205 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.665 0.316 -0.001 0.00 0.00 +0.098 C ATOM 28 C LIG 1 8.313 -0.203 -0.469 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 9 10 ENDBRANCH 3 9 BRANCH 7 29 ATOM 29 C LIG 1 -4.378 0.335 1.131 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -5.561 -0.617 1.423 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.408 -2.015 1.418 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.474 -2.863 1.730 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.712 -2.331 2.078 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.880 -0.951 2.127 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.813 -0.103 1.815 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.772 1.647 0.435 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -4.300 2.874 0.936 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -4.641 4.079 0.318 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.460 4.078 -0.808 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.939 2.875 -1.319 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.598 1.669 -0.704 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 7 29 TORSDOF 6