REMARK Name = BDB024502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.202 -0.822 1.431 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.284 0.242 1.417 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.718 1.498 2.066 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.807 2.208 1.246 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.592 2.511 2.330 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.324 1.803 2.755 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.927 0.882 1.638 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.586 0.743 1.222 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.517 1.416 1.663 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.522 1.020 0.904 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -1.147 -0.074 0.134 0.00 0.00 -0.321 N ATOM 12 C LIG 1 0.242 -0.136 0.202 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.225 -0.839 -0.503 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.557 -0.697 -0.088 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.921 0.121 0.988 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.366 -0.710 1.808 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.995 -0.988 -0.607 0.00 0.00 +0.048 C ATOM 18 C LIG 1 -1.568 -2.479 -0.576 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -2.709 -2.960 -1.474 0.00 0.00 +0.070 C ATOM 20 C LIG 1 -3.940 -2.486 -0.701 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -2.515 -2.057 -2.714 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -3.459 -1.163 -0.090 0.00 0.00 +0.029 C ATOM 23 C LIG 1 -2.052 -0.715 -2.127 0.00 0.00 +0.029 C BRANCH 19 24 ATOM 24 C LIG 1 -2.716 -4.436 -1.807 0.00 0.00 +0.311 C ATOM 25 O LIG 1 -2.855 -4.877 -2.938 0.00 0.00 -0.250 OA BRANCH 24 26 ATOM 26 O LIG 1 -2.585 -5.252 -0.740 0.00 0.00 -0.480 OA ATOM 27 H LIG 1 -2.513 -4.811 0.126 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 5.596 -3.119 1.123 0.00 0.00 +0.282 C ATOM 29 O LIG 1 4.679 -2.026 1.056 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 -2.836 1.749 0.884 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 -3.177 2.405 -0.439 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -2.203 3.079 -1.193 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.537 3.696 -2.400 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.851 3.665 -2.859 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.835 3.027 -2.106 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.502 2.410 -0.899 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6