REMARK Name = BDB037530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.191 -2.506 -0.376 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.943 -1.486 0.234 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -0.448 -0.228 0.522 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.528 0.526 1.048 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.625 -0.244 1.128 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.962 0.173 0.260 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.841 -1.086 0.163 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.266 -1.451 0.631 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.169 -2.228 -0.634 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.851 -2.914 -1.408 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.489 1.942 1.474 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.636 2.717 1.364 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -3.964 2.309 0.895 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -4.850 3.519 1.230 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -3.888 4.699 1.155 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -2.605 4.121 1.729 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -0.442 2.440 1.891 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -3.998 2.018 -0.555 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -4.047 1.789 -1.694 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.938 1.060 -0.983 0.00 0.00 -0.037 A ATOM 21 C LIG 1 1.453 2.368 -0.878 0.00 0.00 +0.007 A ATOM 22 C LIG 1 1.480 3.221 -1.982 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.994 2.775 -3.202 0.00 0.00 +0.123 A ATOM 24 F LIG 1 1.022 3.591 -4.264 0.00 0.00 -0.205 F ATOM 25 C LIG 1 0.483 1.492 -3.338 0.00 0.00 +0.038 A ATOM 26 C LIG 1 0.457 0.634 -2.235 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.264 -2.522 0.661 0.00 0.00 +0.114 C ATOM 28 C LIG 1 -3.003 -3.492 1.822 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -3.575 -2.965 3.130 0.00 0.00 +0.162 C ATOM 30 O LIG 1 -4.971 -2.726 2.982 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -5.231 -1.674 2.057 0.00 0.00 +0.162 C ATOM 32 C LIG 1 -4.730 -2.044 0.666 0.00 0.00 +0.055 C ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 3.169 -0.843 -0.409 0.00 0.00 -0.298 N ATOM 34 H LIG 1 3.446 -1.465 -1.163 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 4.122 -0.106 0.265 0.00 0.00 +0.263 C ATOM 36 O LIG 1 3.899 0.417 1.351 0.00 0.00 -0.269 OA BRANCH 35 37 ATOM 37 C LIG 1 5.457 0.014 -0.408 0.00 0.00 +0.126 A ATOM 38 N LIG 1 6.539 0.038 0.411 0.00 0.00 -0.238 NA ATOM 39 C LIG 1 7.771 0.152 -0.160 0.00 0.00 +0.144 A ATOM 40 C LIG 1 7.930 0.255 -1.545 0.00 0.00 +0.032 A ATOM 41 C LIG 1 6.805 0.233 -2.365 0.00 0.00 +0.004 A ATOM 42 C LIG 1 5.544 0.112 -1.792 0.00 0.00 +0.033 A BRANCH 39 43 ATOM 43 C LIG 1 9.006 0.206 0.732 0.00 0.00 +0.434 C ATOM 44 F LIG 1 9.425 1.482 0.969 0.00 0.00 -0.164 F ATOM 45 F LIG 1 8.841 -0.372 1.955 0.00 0.00 -0.164 F ATOM 46 F LIG 1 10.080 -0.430 0.172 0.00 0.00 -0.164 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -1.288 -3.441 -2.390 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.720 -3.713 -1.004 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8