REMARK Name = BDB035628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.168 0.231 -0.953 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.449 0.737 -1.203 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.882 1.416 -2.117 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.301 0.312 -0.083 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.644 0.562 0.122 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.251 0.031 1.274 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.467 -0.714 2.190 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.095 -0.951 1.972 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.530 -0.422 0.812 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.123 -0.495 0.313 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.387 0.066 -2.174 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.241 -0.060 -1.364 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.968 0.360 -1.800 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.863 0.900 -3.087 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -1.983 1.025 -3.912 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.232 0.613 -3.459 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.794 -0.336 -1.723 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.475 2.412 -0.110 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.558 2.018 -0.970 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.727 0.847 -1.672 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -6.871 0.924 -2.330 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.454 2.134 -2.052 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.658 2.779 -1.232 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.861 -1.194 -0.435 0.00 0.00 +0.021 C BRANCH 24 25 ATOM 25 C LIG 1 -6.192 -1.936 -0.213 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -7.358 -1.086 0.282 0.00 0.00 +0.163 C ATOM 27 O LIG 1 -8.174 -1.927 1.116 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -7.531 -3.199 1.260 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.085 -2.980 0.888 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.263 -1.736 2.953 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.224 -1.004 3.447 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.699 -2.840 2.386 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.958 -2.180 4.033 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.718 0.297 1.561 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.540 -0.003 0.391 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.432 -0.992 0.160 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.935 0.463 0.387 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.603 0.571 1.782 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.142 1.953 1.341 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.996 2.013 0.303 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.742 -0.267 -0.685 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9