REMARK Name = BDB012017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.067 1.492 -0.389 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.267 1.280 -1.066 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.807 2.244 -1.627 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.839 0.005 -1.041 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.194 -1.211 -0.558 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.265 -1.328 0.522 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.056 -2.631 0.980 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.362 -3.789 0.332 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -1.138 -3.677 -0.798 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.319 -0.246 1.266 0.00 0.00 -0.267 N ATOM 11 C LIG 1 1.509 -0.322 2.011 0.00 0.00 +0.220 C ATOM 12 O LIG 1 1.650 0.306 3.062 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -1.546 -2.413 -1.223 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.149 1.106 1.065 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 1.792 3.256 -0.409 0.00 0.00 +0.230 C ATOM 16 N LIG 1 0.474 2.888 -0.545 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -0.199 3.519 -0.971 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 2.669 2.449 -0.105 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 2.073 4.746 -0.693 0.00 0.00 +0.137 C ATOM 20 C LIG 1 2.196 4.944 -2.201 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 3.170 5.341 1.393 0.00 0.00 +0.101 C ATOM 22 N LIG 1 3.331 5.177 -0.049 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 4.024 4.438 -0.205 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -3.145 -0.082 -1.748 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -4.255 -0.915 -1.099 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -4.975 -1.900 -1.869 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -5.963 -2.688 -1.222 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -6.672 -3.677 -1.924 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -6.442 -3.905 -3.277 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -5.499 -3.141 -3.944 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.251 -2.482 0.128 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.604 -1.488 0.849 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.783 -2.156 -3.254 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.631 -0.679 0.249 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -4.015 0.391 1.110 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 2.661 -1.119 1.396 0.00 0.00 +0.100 C BRANCH 36 37 ATOM 37 C LIG 1 4.035 -0.488 1.694 0.00 0.00 +0.002 C ATOM 38 C LIG 1 4.495 -0.743 3.143 0.00 0.00 +0.032 C ATOM 39 C LIG 1 6.005 -0.939 3.257 0.00 0.00 +0.160 C ATOM 40 O LIG 1 6.685 -0.064 2.368 0.00 0.00 -0.380 OA ATOM 41 C LIG 1 6.458 -0.374 0.993 0.00 0.00 +0.160 C ATOM 42 C LIG 1 5.093 -1.003 0.714 0.00 0.00 +0.032 C ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7