REMARK Name = BDB035470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.580 1.152 -0.937 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.188 0.353 -0.084 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.122 -0.583 0.629 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.575 0.826 -0.187 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.698 0.363 0.473 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.923 0.992 0.209 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.976 2.052 -0.728 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.822 2.508 -1.396 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.620 1.871 -1.101 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.250 2.118 -1.644 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.197 0.147 -0.535 0.00 0.00 -0.006 A ATOM 12 C LIG 1 -2.800 0.249 -0.339 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.986 1.072 -1.134 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.606 1.829 -2.138 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.982 1.749 -2.355 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.767 0.914 -1.565 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.081 -0.752 0.360 0.00 0.00 +0.156 C BRANCH 17 18 ATOM 18 C LIG 1 -4.397 -2.052 0.744 0.00 0.00 +0.170 A ATOM 19 N LIG 1 -3.871 -2.977 -0.129 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -3.829 -2.934 -1.566 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -3.379 -3.988 0.639 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -3.610 -3.735 1.904 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -4.247 -2.522 1.972 0.00 0.00 -0.131 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.537 0.027 1.628 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -6.290 1.383 1.492 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.015 2.105 1.958 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.520 0.772 2.543 0.00 0.00 +0.007 C ENDBRANCH 17 24 BRANCH 17 29 ATOM 28 C LIG 1 -7.299 -1.789 0.219 0.00 0.00 +0.195 C ATOM 29 O LIG 1 -6.234 -1.121 -0.447 0.00 0.00 -0.364 OA ENDBRANCH 17 29 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.876 3.636 -2.390 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.115 4.697 -2.006 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.128 4.124 -2.600 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.404 3.267 -3.613 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.185 0.506 0.891 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.731 -0.649 0.180 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.771 -0.431 -0.815 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.009 -1.104 0.751 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.154 -0.136 0.336 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.966 -1.378 -0.091 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.624 -2.124 -0.255 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.935 -1.586 2.188 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9