REMARK Name = BDB025249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.705 0.619 1.131 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.694 0.860 0.184 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.002 1.850 -0.870 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.025 1.297 -1.877 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.785 2.354 -1.662 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.581 2.503 -0.757 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.286 1.147 -0.183 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.970 0.656 -0.059 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.209 1.264 -0.402 0.00 0.00 -0.223 NA ATOM 10 C LIG 1 -1.177 0.424 -0.067 0.00 0.00 +0.198 A ATOM 11 N LIG 1 -0.637 -0.758 0.414 0.00 0.00 -0.317 N ATOM 12 C LIG 1 0.736 -0.604 0.477 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.779 -1.416 0.928 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.083 -0.916 0.816 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.355 0.352 0.286 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.848 1.057 1.027 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.391 -1.968 0.742 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -0.957 -3.197 -0.078 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.906 -4.391 0.143 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.542 -4.408 1.541 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.656 -3.729 2.579 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.419 -2.253 2.253 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.001 -4.486 -0.899 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.560 -5.514 -1.245 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.390 -3.300 -1.399 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.135 -3.523 -1.997 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.602 0.777 -0.146 0.00 0.00 +0.286 C ATOM 28 N LIG 1 -2.989 1.691 -1.158 0.00 0.00 -0.268 N ATOM 29 C LIG 1 -2.207 1.770 -2.393 0.00 0.00 +0.138 C ATOM 30 O LIG 1 -3.402 0.287 0.652 0.00 0.00 -0.266 OA BRANCH 28 31 ATOM 31 C LIG 1 -4.166 2.528 -1.045 0.00 0.00 +0.036 A ATOM 32 C LIG 1 -4.593 3.335 -2.116 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.721 4.162 -2.016 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -6.445 4.215 -0.833 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.034 3.449 0.249 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.906 2.624 0.145 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 6.309 -0.277 3.218 0.00 0.00 +0.282 C ATOM 38 O LIG 1 5.300 -0.088 2.225 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 6