REMARK Name = BDB017472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.992 -2.306 -0.646 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.770 -1.177 -1.458 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.490 -0.610 -1.486 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.415 -1.124 -0.775 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.322 -0.256 -1.079 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.698 0.727 -1.912 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.620 -2.274 0.009 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.997 0.482 -2.144 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.499 1.107 -2.763 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.901 -2.845 0.057 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.863 1.296 1.584 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.585 -0.037 1.259 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.527 -0.768 0.545 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.554 -2.177 0.020 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.369 -2.926 -0.558 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.910 -2.297 -0.637 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.539 -1.073 -0.498 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.466 -0.893 -0.851 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.342 -3.297 -1.184 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.953 -3.320 0.785 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.742 -0.160 0.196 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.058 1.142 0.517 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.097 1.871 1.219 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.694 1.678 2.480 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.021 2.142 2.256 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.009 -0.404 -0.561 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.029 0.431 -0.825 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.382 0.274 -0.279 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.075 1.416 0.146 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.374 1.312 0.653 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -4.998 0.063 0.712 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -4.314 -1.083 0.300 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -3.016 -0.975 -0.206 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.365 -0.082 1.262 0.00 0.00 +0.247 C ATOM 35 N LIG 1 -7.386 0.706 0.744 0.00 0.00 -0.295 N ATOM 36 C LIG 1 -7.322 1.433 -0.531 0.00 0.00 +0.123 C ATOM 37 C LIG 1 -8.695 1.491 -1.228 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -9.737 2.139 -0.407 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -11.068 1.798 -0.901 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -9.589 1.837 1.033 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -8.709 0.618 1.363 0.00 0.00 +0.123 C ATOM 42 O LIG 1 -6.538 -0.902 2.161 0.00 0.00 -0.270 OA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 5