REMARK Name = BDB032403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.608 0.144 -1.603 0.00 0.00 -0.043 A ATOM 2 C LIG 1 0.081 -0.599 -2.569 0.00 0.00 +0.042 A ATOM 3 C LIG 1 1.357 -1.091 -2.297 0.00 0.00 +0.128 A ATOM 4 F LIG 1 1.983 -1.805 -3.244 0.00 0.00 -0.205 F ATOM 5 C LIG 1 1.982 -0.858 -1.071 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.283 -0.128 -0.098 0.00 0.00 +0.008 A ATOM 7 C LIG 1 0.004 0.369 -0.363 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.995 0.673 -1.886 0.00 0.00 +0.050 C BRANCH 8 9 ATOM 9 C LIG 1 -3.123 -0.254 -1.394 0.00 0.00 +0.089 C BRANCH 9 13 ATOM 10 N LIG 1 -6.130 -0.122 0.965 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 -4.928 0.447 1.615 0.00 0.00 +0.072 C ATOM 12 C LIG 1 -3.882 0.986 0.609 0.00 0.00 +0.103 C ATOM 13 N LIG 1 -3.273 -0.252 0.061 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 -4.144 -1.336 0.596 0.00 0.00 +0.072 C ATOM 15 C LIG 1 -4.260 -0.857 2.038 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.624 -1.227 0.132 0.00 0.00 +0.104 C BRANCH 10 18 ATOM 17 C LIG 1 -7.037 1.127 -1.077 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -7.113 0.806 0.419 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -8.502 0.234 0.733 0.00 0.00 +0.024 C ENDBRANCH 10 18 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 5 20 ATOM 20 C LIG 1 3.351 -1.422 -0.788 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 4.231 -0.361 -0.304 0.00 0.00 -0.339 N ATOM 22 H LIG 1 4.160 0.463 -0.895 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 5.581 -0.632 0.002 0.00 0.00 +0.035 A ATOM 24 C LIG 1 6.462 0.450 0.323 0.00 0.00 +0.008 A ATOM 25 C LIG 1 7.819 0.188 0.638 0.00 0.00 +0.023 A ATOM 26 C LIG 1 8.665 1.286 0.910 0.00 0.00 +0.124 A ATOM 27 N LIG 1 8.255 2.566 0.929 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 6.956 2.792 0.665 0.00 0.00 +0.113 A ATOM 29 C LIG 1 8.264 -1.148 0.684 0.00 0.00 +0.012 A ATOM 30 C LIG 1 7.395 -2.203 0.432 0.00 0.00 +0.003 A ATOM 31 C LIG 1 6.046 1.795 0.360 0.00 0.00 +0.030 A ATOM 32 C LIG 1 6.067 -1.945 0.105 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 10.026 1.119 1.195 0.00 0.00 -0.343 N ATOM 34 H LIG 1 10.488 0.633 0.435 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 10.400 2.057 1.316 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 8