REMARK Name = BDB026897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.879 -0.398 0.226 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.715 0.493 1.450 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.946 0.032 2.533 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.763 0.824 3.667 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.337 2.091 3.733 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.086 2.571 2.662 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.269 1.782 1.525 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -0.679 -0.390 -0.661 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -0.926 -0.921 -1.500 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -0.243 0.948 -1.082 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 0.862 0.867 -2.154 0.00 0.00 +0.052 C BRANCH 11 15 ATOM 12 C LIG 1 4.592 -0.961 -1.126 0.00 0.00 +0.119 A ATOM 13 N LIG 1 3.771 -0.574 -0.132 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.584 -0.013 -0.474 0.00 0.00 +0.116 A ATOM 15 C LIG 1 2.159 0.193 -1.781 0.00 0.00 -0.028 A ATOM 16 C LIG 1 3.033 -0.219 -2.791 0.00 0.00 +0.008 A ATOM 17 C LIG 1 4.251 -0.813 -2.461 0.00 0.00 +0.044 A BRANCH 12 18 ATOM 18 N LIG 1 5.785 -1.550 -0.710 0.00 0.00 -0.327 N ATOM 19 H LIG 1 5.744 -1.461 0.304 0.00 0.00 +0.148 HD BRANCH 18 20 ATOM 20 C LIG 1 6.999 -0.974 -1.296 0.00 0.00 +0.131 C BRANCH 20 21 ATOM 21 C LIG 1 8.256 -1.471 -0.562 0.00 0.00 +0.178 C BRANCH 21 23 ATOM 22 C LIG 1 7.875 -0.529 1.605 0.00 0.00 +0.194 C ATOM 23 O LIG 1 8.714 -0.577 0.458 0.00 0.00 -0.381 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 12 18 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -3.194 -0.194 -0.579 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -3.160 0.124 -1.771 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -4.486 -0.438 0.088 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -5.796 -0.157 -0.435 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -6.728 -0.540 0.529 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -8.110 -0.400 0.349 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -8.556 0.150 -0.856 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.656 0.544 -1.839 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -6.024 -1.042 1.597 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -6.445 -1.394 2.448 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -6.278 0.396 -1.641 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -4.679 -0.993 1.342 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 11