REMARK Name = BDB025205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.305 -1.753 0.171 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.495 -0.752 -0.394 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.194 0.421 -0.960 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.928 0.062 -2.263 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.297 1.637 -1.244 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.240 1.784 -0.171 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.415 0.530 -0.183 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.010 0.556 -0.061 0.00 0.00 +0.096 A ATOM 9 N LIG 1 0.177 1.634 0.072 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.050 1.168 0.138 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -1.033 -0.219 0.070 0.00 0.00 -0.309 N ATOM 12 C LIG 1 0.283 -0.624 -0.072 0.00 0.00 +0.071 A ATOM 13 C LIG 1 0.897 -1.872 -0.210 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.294 -1.891 -0.321 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.064 -0.721 -0.290 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.530 -1.769 0.072 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.168 -1.136 0.165 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -3.133 -1.026 -1.031 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -4.601 -1.239 -0.648 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -4.798 -2.352 0.383 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.956 -2.150 1.655 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -2.880 -1.068 1.524 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.508 -3.695 -0.257 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.419 -4.235 -0.348 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.606 -4.262 -0.789 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.286 -5.104 -1.178 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.457 -3.663 1.532 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.629 -2.681 0.907 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.210 1.862 0.240 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.092 1.380 0.152 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.390 3.257 0.379 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -1.347 4.171 0.559 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -1.597 5.542 0.692 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -2.901 6.025 0.647 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.955 5.136 0.470 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.700 3.767 0.339 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6