REMARK Name = BDB038756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.838 0.570 -0.899 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.532 0.831 -0.464 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.453 0.193 -1.070 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.648 -0.681 -2.072 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.895 -0.935 -2.536 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.002 -0.316 -1.966 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.133 0.445 -0.641 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.007 -0.159 -1.177 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.158 -0.994 -2.048 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.156 0.408 -0.460 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.681 1.320 0.469 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.563 1.993 1.280 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.930 1.747 1.156 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.415 0.815 0.207 0.00 0.00 -0.030 A ATOM 15 F LIG 1 2.115 2.874 2.183 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.505 0.134 -0.617 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.200 1.397 0.404 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.903 0.557 0.087 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.479 0.017 1.324 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.953 -0.075 1.266 0.00 0.00 +0.088 C ATOM 21 C LIG 1 8.304 -1.125 2.329 0.00 0.00 +0.023 C ATOM 22 C LIG 1 6.992 -1.818 2.665 0.00 0.00 +0.017 C ATOM 23 C LIG 1 6.028 -1.356 1.589 0.00 0.00 +0.085 C BRANCH 20 24 ATOM 24 C LIG 1 8.676 1.247 1.532 0.00 0.00 +0.232 C ATOM 25 F LIG 1 10.020 1.040 1.453 0.00 0.00 -0.247 F ENDBRANCH 20 24 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.079 0.483 0.309 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -4.999 1.212 -0.248 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.053 2.621 -0.194 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.137 3.289 0.382 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.203 2.564 0.913 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.173 1.169 0.871 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -4.212 -1.556 1.833 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.308 -1.851 0.951 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.146 -0.978 0.299 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.061 -1.689 -0.335 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -6.798 -3.022 -0.135 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -5.742 -3.103 0.637 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.319 3.247 1.498 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.212 3.808 1.981 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.064 -1.917 -3.671 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -3.407 -1.412 -5.054 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -2.044 -1.975 -4.785 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 8