REMARK Name = BDB010320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.899 -0.850 0.111 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.579 -1.289 0.024 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.266 -2.592 0.379 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.065 -2.847 0.265 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.591 -1.752 -0.224 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.160 -3.503 0.794 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.406 -3.012 0.809 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.635 -0.758 -0.357 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.809 -1.768 0.494 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.891 -1.516 -0.532 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -3.963 -2.107 0.285 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -5.198 -1.425 -0.338 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -4.803 -1.173 -1.805 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -4.038 -3.637 0.106 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -4.168 -4.058 -1.361 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -3.320 -3.190 -2.297 0.00 0.00 +0.022 C ATOM 17 C LIG 1 -3.358 -1.698 -1.915 0.00 0.00 +0.077 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 3.451 -3.966 1.243 0.00 0.00 +0.220 A ATOM 19 N LIG 1 3.099 -5.223 1.562 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.172 -5.617 1.542 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 4.219 -5.863 1.917 0.00 0.00 +0.440 A ATOM 22 O LIG 1 4.299 -7.027 2.274 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 5.272 -4.987 1.815 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 4.720 -3.743 1.366 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 2.300 0.449 -0.173 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.614 1.138 0.098 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 3.781 1.149 1.659 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.672 0.842 0.163 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.021 2.104 -0.631 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.147 1.937 -2.172 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.291 2.969 -2.119 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.514 2.537 -0.656 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.902 0.584 -0.843 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.639 1.499 0.159 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.141 2.756 -0.580 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.379 3.915 0.380 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.069 4.362 1.051 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -1.369 5.074 2.371 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -0.082 3.197 1.250 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.798 1.858 1.402 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7