REMARK Name = BDB037600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.850 -0.065 -1.229 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.650 0.213 -0.513 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.507 -0.600 -0.028 0.00 0.00 +0.083 C ATOM 4 C LIG 1 1.773 0.272 -0.035 0.00 0.00 +0.172 C ATOM 5 C LIG 1 1.544 1.651 0.627 0.00 0.00 +0.242 C ATOM 6 N LIG 1 0.342 2.326 0.337 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.445 2.171 1.295 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.699 1.577 -0.248 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.963 1.988 -0.668 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.488 1.080 -1.525 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.670 -1.836 -0.899 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.965 -1.757 -2.274 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.138 -2.915 -3.034 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.025 -4.158 -2.426 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.189 -5.269 -3.156 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.749 -4.266 -1.069 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.579 -3.110 -0.306 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -2.802 3.047 -0.236 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.776 3.482 1.093 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.632 4.504 1.510 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.531 5.075 0.609 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.591 4.612 -0.706 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.740 3.589 -1.127 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.904 -0.387 0.627 0.00 0.00 -0.297 N ATOM 25 H LIG 1 3.015 -0.256 1.631 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 4.079 -0.664 -0.056 0.00 0.00 +0.282 C ATOM 27 O LIG 1 4.174 -0.591 -1.278 0.00 0.00 -0.267 OA BRANCH 26 28 ATOM 28 C LIG 1 5.245 -1.040 0.831 0.00 0.00 +0.216 A ATOM 29 N LIG 1 6.413 -1.356 0.241 0.00 0.00 -0.219 NA ATOM 30 C LIG 1 7.450 -1.656 1.063 0.00 0.00 +0.147 A ATOM 31 C LIG 1 7.313 -1.636 2.444 0.00 0.00 +0.052 A ATOM 32 C LIG 1 6.074 -1.300 2.942 0.00 0.00 +0.115 A ATOM 33 N LIG 1 5.019 -1.001 2.165 0.00 0.00 -0.232 NA BRANCH 30 34 ATOM 34 C LIG 1 8.805 -2.014 0.469 0.00 0.00 +0.434 C ATOM 35 F LIG 1 9.233 -3.247 0.873 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.844 -2.031 -0.890 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.783 -1.146 0.863 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 0.381 3.788 0.460 0.00 0.00 +0.112 C ATOM 39 C LIG 1 0.447 4.302 1.895 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -2.458 -1.372 -1.700 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -3.857 -1.648 -1.241 0.00 0.00 -0.330 N ATOM 42 C LIG 1 -4.864 -1.009 -2.103 0.00 0.00 +0.129 C BRANCH 41 44 ATOM 43 C LIG 1 -3.310 -2.773 0.835 0.00 0.00 +0.029 C ATOM 44 C LIG 1 -4.128 -1.992 0.101 0.00 0.00 +0.013 C BRANCH 44 45 ATOM 45 C LIG 1 -5.370 -1.422 0.789 0.00 0.00 +0.168 C BRANCH 45 46 ATOM 46 C LIG 1 -6.567 -2.239 0.525 0.00 0.00 +0.068 C ATOM 47 N LIG 1 -7.534 -2.860 0.345 0.00 0.00 -0.196 NA ENDBRANCH 45 46 ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 11