REMARK Name = BDB003410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.012 1.657 0.192 0.00 0.00 -0.255 N ATOM 2 C LIG 1 2.469 0.543 -0.472 0.00 0.00 +0.309 C ATOM 3 O LIG 1 2.947 -0.593 -0.416 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 1.319 0.771 -1.230 0.00 0.00 -0.284 N ATOM 5 C LIG 1 0.529 1.982 -1.114 0.00 0.00 +0.111 C ATOM 6 C LIG 1 1.423 3.178 -0.927 0.00 0.00 +0.038 C ATOM 7 C LIG 1 2.262 2.907 0.301 0.00 0.00 +0.117 C ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 6.467 0.548 1.268 0.00 0.00 -0.013 A ATOM 9 C LIG 1 5.256 0.661 0.557 0.00 0.00 +0.032 A ATOM 10 C LIG 1 4.239 1.550 0.942 0.00 0.00 +0.038 A ATOM 11 C LIG 1 4.476 2.355 2.067 0.00 0.00 +0.023 A ATOM 12 C LIG 1 5.667 2.257 2.791 0.00 0.00 +0.002 A ATOM 13 C LIG 1 6.653 1.356 2.397 0.00 0.00 +0.009 A BRANCH 8 19 ATOM 14 C LIG 1 11.063 -1.088 -0.522 0.00 0.00 -0.020 A ATOM 15 C LIG 1 9.714 -1.018 -0.012 0.00 0.00 +0.041 A ATOM 16 C LIG 1 9.278 -2.336 0.113 0.00 0.00 +0.140 A ATOM 17 N LIG 1 8.085 -2.778 0.546 0.00 0.00 -0.237 NA ATOM 18 C LIG 1 7.238 -1.779 0.891 0.00 0.00 +0.123 A ATOM 19 C LIG 1 7.497 -0.409 0.842 0.00 0.00 +0.019 A ATOM 20 N LIG 1 10.281 -3.168 -0.290 0.00 0.00 -0.346 N ATOM 21 H LIG 1 10.203 -4.174 -0.293 0.00 0.00 +0.167 HD ATOM 22 C LIG 1 8.768 -0.040 0.372 0.00 0.00 +0.061 A ATOM 23 CL LIG 1 9.254 1.597 0.200 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 11.366 -2.432 -0.675 0.00 0.00 +0.088 A BRANCH 14 26 ATOM 25 C LIG 1 12.772 0.514 0.379 0.00 0.00 +0.009 C ATOM 26 C LIG 1 12.007 0.029 -0.843 0.00 0.00 +0.034 C ENDBRANCH 14 26 ENDBRANCH 8 19 ENDBRANCH 1 10 BRANCH 4 27 ATOM 27 C LIG 1 0.673 -0.389 -1.854 0.00 0.00 +0.124 C BRANCH 27 28 ATOM 28 C LIG 1 -0.226 -1.200 -0.896 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 N LIG 1 -1.482 -0.491 -0.564 0.00 0.00 -0.300 NA ATOM 30 C LIG 1 -2.499 -0.681 -1.621 0.00 0.00 +0.094 C ATOM 31 C LIG 1 -3.131 -1.839 -0.812 0.00 0.00 +0.047 C ATOM 32 C LIG 1 -2.296 -1.298 0.372 0.00 0.00 +0.094 C BRANCH 31 33 ATOM 33 C LIG 1 -4.717 -1.919 -0.679 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -5.496 -0.814 -0.259 0.00 0.00 +0.010 A ATOM 35 C LIG 1 -6.874 -0.927 -0.163 0.00 0.00 -0.018 A ATOM 36 C LIG 1 -7.889 0.093 0.231 0.00 0.00 +0.144 C ATOM 37 N LIG 1 -9.133 -0.667 0.197 0.00 0.00 -0.282 N ATOM 38 C LIG 1 -8.946 -1.950 -0.296 0.00 0.00 +0.248 C ATOM 39 O LIG 1 -9.791 -2.790 -0.539 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 -7.501 -2.126 -0.480 0.00 0.00 +0.042 A ATOM 41 C LIG 1 -6.803 -3.238 -0.896 0.00 0.00 +0.013 A ATOM 42 C LIG 1 -5.413 -3.122 -0.990 0.00 0.00 +0.005 A BRANCH 37 43 ATOM 43 C LIG 1 -10.453 -0.052 0.264 0.00 0.00 +0.163 C ATOM 44 C LIG 1 -10.765 0.799 -0.979 0.00 0.00 +0.240 C ATOM 45 O LIG 1 -10.093 0.803 -2.007 0.00 0.00 -0.273 OA ATOM 46 N LIG 1 -11.878 1.603 -0.874 0.00 0.00 -0.255 N ATOM 47 H LIG 1 -12.062 2.174 -1.689 0.00 0.00 +0.158 HD ATOM 48 C LIG 1 -12.395 2.099 0.295 0.00 0.00 +0.219 C ATOM 49 O LIG 1 -13.106 3.099 0.300 0.00 0.00 -0.275 OA ATOM 50 C LIG 1 -12.056 1.341 1.558 0.00 0.00 +0.098 C ATOM 51 C LIG 1 -10.632 0.808 1.512 0.00 0.00 +0.041 C ENDBRANCH 37 43 ENDBRANCH 31 33 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8