REMARK Name = BDB016732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.998 -0.260 -2.434 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.825 1.010 -1.852 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.616 1.296 -1.206 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.560 0.398 -1.133 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.465 1.085 -0.406 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -0.049 2.308 -0.031 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.722 -0.868 -1.724 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.188 2.407 -0.536 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.701 3.267 -0.381 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.931 -1.172 -2.368 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.596 -0.347 1.453 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.102 -0.728 0.196 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.833 -0.428 -0.944 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.615 -0.682 -2.409 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.288 -0.609 -3.139 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.856 -0.120 -3.066 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.644 0.409 -2.060 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.537 0.840 -2.239 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.092 -0.139 -4.262 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.968 -1.944 -2.903 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.061 0.233 -0.804 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.580 0.619 0.414 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.829 0.324 1.556 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.212 -0.308 3.803 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.786 -0.691 2.502 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.803 0.611 -0.055 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -2.585 -0.094 -0.979 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.863 -0.546 -0.632 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -4.388 -0.292 0.643 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.605 0.415 1.566 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -2.329 0.868 1.218 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 C LIG 1 -5.763 -0.802 1.023 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -6.627 0.226 1.623 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 -7.804 -0.399 2.261 0.00 0.00 +0.113 C ATOM 35 C LIG 1 -8.967 0.592 2.407 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -9.471 1.034 1.139 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -8.468 1.062 0.114 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -7.045 1.267 0.657 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 5