REMARK Name = BDB035850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.712 1.074 -0.463 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.518 1.722 -0.305 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.792 2.853 0.051 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.563 0.752 -0.653 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.936 0.924 -0.651 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.734 -0.164 -1.028 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.118 -1.389 -1.387 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.719 -1.548 -1.382 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.956 -0.446 -1.008 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.528 -0.303 -0.903 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.473 1.364 -0.229 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.163 0.858 -0.408 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.001 1.643 -0.263 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.166 2.986 0.076 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.438 3.529 0.254 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.568 2.729 0.099 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.040 -0.655 -1.768 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.733 0.844 -1.574 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.795 0.463 -0.376 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.705 -0.949 -1.045 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.563 0.389 1.018 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.062 0.014 2.236 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.725 -0.400 2.558 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.098 0.106 3.114 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.176 0.501 2.480 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.840 0.681 1.160 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.475 -2.458 -3.330 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.120 -1.096 -3.140 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.067 -2.851 -1.755 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.324 -3.361 -0.733 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.205 -2.712 -2.800 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.941 -3.828 -2.113 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.241 -0.044 -1.036 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.821 -0.861 0.022 0.00 0.00 -0.311 NA ATOM 35 H LIG 1 5.396 -0.646 0.923 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.282 -0.791 0.083 0.00 0.00 +0.090 C BRANCH 36 37 ATOM 37 C LIG 1 7.808 0.084 1.234 0.00 0.00 +0.011 C ATOM 38 C LIG 1 9.316 -0.193 1.531 0.00 0.00 +0.011 C ATOM 39 C LIG 1 8.982 -0.221 3.033 0.00 0.00 +0.001 C ATOM 40 C LIG 1 7.511 -0.474 2.661 0.00 0.00 +0.011 C BRANCH 37 41 ATOM 41 C LIG 1 7.491 1.566 1.039 0.00 0.00 +0.221 C ATOM 42 F LIG 1 8.107 2.301 2.004 0.00 0.00 -0.248 F ENDBRANCH 37 41 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 10