REMARK Name = BDB032171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.058 1.874 1.240 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -3.817 0.777 0.875 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -5.204 0.727 0.328 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -5.450 -0.707 0.212 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.317 -1.453 0.501 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -4.166 -2.655 0.401 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -3.295 -0.510 0.967 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -2.017 -0.771 1.420 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -1.233 0.323 1.809 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.757 1.638 1.708 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -6.580 -1.270 -0.514 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.477 -1.029 -2.030 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.466 -0.632 -2.605 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.624 -1.288 -2.746 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.553 -1.112 -3.739 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.903 -1.276 -2.250 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.870 -1.161 -2.997 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -9.050 -1.433 -0.755 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.919 -0.735 -0.015 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.887 4.234 1.441 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -3.662 3.089 1.104 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 0.183 0.107 2.284 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 1.025 0.095 1.130 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.348 -0.014 1.419 0.00 0.00 +0.405 C ATOM 25 N LIG 1 3.034 -0.037 0.238 0.00 0.00 -0.251 N ATOM 26 H LIG 1 2.436 0.019 -0.574 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.792 -0.074 2.554 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.419 -0.136 0.033 0.00 0.00 +0.036 A ATOM 29 C LIG 1 4.874 -0.144 -1.288 0.00 0.00 +0.024 A ATOM 30 C LIG 1 6.243 -0.239 -1.575 0.00 0.00 +0.012 A ATOM 31 C LIG 1 7.201 -0.325 -0.551 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.721 -0.326 0.770 0.00 0.00 +0.012 A ATOM 33 C LIG 1 5.353 -0.230 1.062 0.00 0.00 +0.024 A BRANCH 31 34 ATOM 34 C LIG 1 8.650 -0.422 -0.830 0.00 0.00 +0.071 A ATOM 35 N LIG 1 9.378 -1.126 0.075 0.00 0.00 -0.255 NA ATOM 36 C LIG 1 10.707 -1.248 -0.135 0.00 0.00 +0.111 A ATOM 37 C LIG 1 11.371 -0.693 -1.213 0.00 0.00 +0.020 A ATOM 38 C LIG 1 10.627 0.034 -2.131 0.00 0.00 +0.004 A ATOM 39 C LIG 1 9.253 0.174 -1.939 0.00 0.00 +0.028 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 7