REMARK Name = BDB035460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.278 -1.315 -1.267 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.331 -0.272 -0.561 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.143 0.644 0.086 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.782 -0.447 -0.704 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.800 0.335 -0.190 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.120 -0.046 -0.464 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.366 -1.207 -1.238 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.317 -1.992 -1.754 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.018 -1.583 -1.469 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.715 -2.202 -1.861 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.021 -0.853 -0.978 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.624 -0.654 -0.879 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.675 -1.544 -1.407 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.151 -2.676 -2.079 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.520 -2.914 -2.197 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.435 -2.018 -1.649 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.087 0.170 -0.346 0.00 0.00 +0.061 C ATOM 18 C LIG 1 4.680 1.684 -0.211 0.00 0.00 +0.054 C ATOM 19 C LIG 1 6.059 2.053 -0.719 0.00 0.00 +0.074 C ATOM 20 O LIG 1 7.038 2.611 0.165 0.00 0.00 -0.373 OA ATOM 21 C LIG 1 7.306 3.667 -0.794 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.139 3.215 -1.681 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.227 0.670 -1.320 0.00 0.00 +0.054 C BRANCH 17 26 ATOM 24 C LIG 1 3.921 0.109 2.699 0.00 0.00 +0.151 C ATOM 25 N LIG 1 5.151 -0.473 2.240 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.685 -0.467 0.981 0.00 0.00 +0.144 A ATOM 27 N LIG 1 6.803 -1.168 0.994 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 7.018 -1.611 2.276 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 6.020 -1.183 3.013 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.580 -3.229 -2.568 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.980 -3.176 -3.790 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.094 -4.351 -1.968 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -4.898 -3.467 -2.806 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.281 0.755 0.088 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.914 0.028 1.190 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.184 -0.255 1.845 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.007 0.796 1.810 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.426 1.929 2.702 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.372 1.447 3.823 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.387 0.065 3.134 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.175 1.104 0.890 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7