REMARK Name = BDB025184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.319 -0.082 -1.952 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.442 -0.690 -1.036 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.806 -1.983 -0.406 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.967 -1.812 0.591 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.664 -2.684 0.347 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.361 -2.540 -0.404 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.067 -1.073 -0.517 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.762 -0.563 -0.345 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.385 -1.232 -0.007 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -1.332 -0.326 0.105 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -0.849 0.909 -0.310 0.00 0.00 -0.308 N ATOM 12 C LIG 1 0.513 0.794 -0.497 0.00 0.00 +0.071 A ATOM 13 C LIG 1 1.532 1.705 -0.782 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.825 1.192 -0.950 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.112 -0.177 -0.837 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.121 0.960 -2.568 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.651 2.115 -0.458 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.494 3.047 0.751 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -2.612 4.104 0.758 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.941 4.626 -0.651 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.821 4.365 -1.658 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.496 2.873 -1.792 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.864 3.515 1.394 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.088 2.316 1.493 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.734 4.452 1.826 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.442 5.373 1.687 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.373 -0.258 -3.089 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.459 -0.815 -2.143 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 -2.602 -0.465 0.566 0.00 0.00 -0.285 N ATOM 30 H LIG 1 -3.113 0.357 0.885 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.256 -1.653 0.963 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -2.766 -2.939 0.717 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -3.478 -4.077 1.117 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.703 -3.956 1.777 0.00 0.00 -0.050 A ATOM 35 C LIG 1 -5.479 -5.176 2.174 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -5.218 -2.679 2.004 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.502 -1.545 1.603 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 6