REMARK Name = BDB002338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.981 1.340 0.061 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.189 2.067 0.038 0.00 0.00 -0.288 N ATOM 3 C LIG 1 0.660 2.666 -1.220 0.00 0.00 +0.162 C ATOM 4 C LIG 1 1.540 3.836 -0.767 0.00 0.00 +0.033 C ATOM 5 C LIG 1 2.058 3.387 0.594 0.00 0.00 +0.021 C ATOM 6 C LIG 1 0.864 2.656 1.184 0.00 0.00 +0.109 C ATOM 7 O LIG 1 -1.560 1.016 -0.981 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 1.469 1.730 -2.141 0.00 0.00 +0.234 C ATOM 9 N LIG 1 2.019 0.623 -1.537 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.575 0.282 -0.685 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 1.716 2.042 -3.306 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 2.765 -0.367 -2.300 0.00 0.00 +0.103 C ATOM 13 C LIG 1 3.696 -1.162 -1.396 0.00 0.00 -0.024 A ATOM 14 C LIG 1 3.829 -2.559 -1.518 0.00 0.00 -0.042 A ATOM 15 C LIG 1 4.708 -3.250 -0.669 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.479 -2.565 0.269 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.380 -1.182 0.369 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.013 -3.345 -2.513 0.00 0.00 +0.035 C ATOM 19 C LIG 1 2.483 -2.481 -3.651 0.00 0.00 +0.007 C ATOM 20 C LIG 1 4.500 -0.486 -0.459 0.00 0.00 +0.006 A ATOM 21 C LIG 1 1.785 -1.251 -3.089 0.00 0.00 +0.027 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.551 0.899 1.431 0.00 0.00 +0.170 C BRANCH 22 24 ATOM 23 C LIG 1 -3.890 0.512 2.196 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -2.951 0.531 1.194 0.00 0.00 -0.302 N ATOM 25 H LIG 1 -3.206 0.325 0.231 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -3.584 0.750 3.365 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -5.319 0.093 1.759 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -5.831 0.891 0.560 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -6.683 1.454 3.305 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -6.245 0.117 2.918 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -5.734 -0.280 3.712 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 -0.783 -0.241 2.091 0.00 0.00 +0.152 C BRANCH 32 33 ATOM 33 C LIG 1 -0.235 -1.203 1.078 0.00 0.00 +0.309 C ATOM 34 O LIG 1 0.808 -1.008 0.468 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -1.059 -2.270 0.920 0.00 0.00 -0.468 OA ATOM 36 C LIG 1 -0.608 -3.218 -0.048 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 9