REMARK Name = BDB025128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.192 2.487 1.050 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.216 1.598 1.532 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.590 0.783 2.708 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.667 1.638 3.983 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.660 -0.407 2.994 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.195 -1.047 1.703 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.454 0.003 0.928 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.254 -0.282 0.243 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.570 -1.464 0.166 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -0.499 -1.236 -0.575 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.512 0.082 -1.004 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.597 0.712 -0.470 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.083 2.022 -0.526 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.280 2.295 0.149 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.984 1.310 0.854 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.243 2.726 1.640 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.511 0.694 -1.878 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.336 1.786 -1.169 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.786 2.915 -2.104 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -3.159 2.426 -3.505 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.019 1.639 -4.179 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -0.924 1.173 -3.213 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.436 1.600 -3.429 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.463 0.394 -3.235 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.561 2.336 -3.546 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.417 3.292 -3.681 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.939 3.872 -0.696 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.917 3.023 -0.175 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.565 -2.255 -0.907 0.00 0.00 +0.181 C ATOM 30 C LIG 1 -1.272 -2.915 -2.249 0.00 0.00 +0.046 C BRANCH 29 31 ATOM 31 O LIG 1 -1.547 -3.299 0.080 0.00 0.00 -0.366 OA BRANCH 31 32 ATOM 32 C LIG 1 -2.127 -2.941 1.341 0.00 0.00 +0.124 C ATOM 33 C LIG 1 -3.655 -3.017 1.250 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -4.248 -3.398 2.594 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.810 -4.677 3.053 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -2.522 -5.081 2.581 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -1.577 -3.905 2.397 0.00 0.00 +0.059 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7