REMARK Name = BDB037808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.420 -2.417 -0.378 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.219 -1.294 -0.119 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.795 0.009 -0.314 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.895 0.853 -0.004 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.923 0.103 0.421 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.584 0.332 -0.821 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.494 -0.774 -0.234 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.520 -1.185 0.312 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.957 -2.183 -0.587 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.742 -3.069 -0.949 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.959 2.326 -0.151 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.059 3.023 0.343 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.156 4.454 0.201 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.273 4.947 1.077 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.839 3.752 1.796 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -2.860 5.402 1.323 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.232 2.509 1.088 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.046 2.932 -0.716 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -5.243 1.905 0.191 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -6.065 1.436 -0.485 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.488 -2.202 0.704 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.153 -1.904 2.055 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.096 -3.041 2.441 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.579 -3.769 1.310 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.860 -2.924 0.198 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.552 -2.408 -0.387 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.914 -0.684 -0.568 0.00 0.00 -0.301 N ATOM 28 H LIG 1 3.314 -1.502 -1.018 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.740 0.230 0.053 0.00 0.00 +0.251 C ATOM 30 O LIG 1 3.311 1.072 0.835 0.00 0.00 -0.272 OA BRANCH 29 31 ATOM 31 C LIG 1 5.212 0.082 -0.343 0.00 0.00 +0.324 C BRANCH 31 32 ATOM 32 O LIG 1 6.026 1.020 0.343 0.00 0.00 -0.483 OA BRANCH 32 33 ATOM 33 C LIG 1 7.365 1.001 0.071 0.00 0.00 +0.121 A ATOM 34 C LIG 1 8.114 1.954 0.768 0.00 0.00 +0.045 A ATOM 35 C LIG 1 9.494 2.047 0.587 0.00 0.00 +0.004 A ATOM 36 C LIG 1 10.137 1.184 -0.297 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.398 0.231 -0.996 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.014 0.138 -0.814 0.00 0.00 +0.045 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 39 ATOM 39 C LIG 1 0.575 0.509 -2.337 0.00 0.00 -0.001 C ATOM 40 C LIG 1 1.281 -0.375 -3.339 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.792 1.014 -3.075 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.636 -4.641 0.682 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.879 -3.789 -0.555 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 9