REMARK Name = BDB024697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.367 -2.891 0.622 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.836 -1.794 1.323 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.661 -1.092 2.338 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.879 -1.970 3.584 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.093 0.251 2.822 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.470 1.014 1.676 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.362 0.167 1.124 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.128 0.725 0.731 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.704 2.030 0.796 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.478 2.046 0.307 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.095 0.777 -0.074 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.137 -0.084 0.192 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.304 -1.458 0.021 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.536 -2.003 0.408 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.569 -1.221 0.948 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.809 -3.528 -0.265 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.250 -4.267 0.300 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.650 -3.178 1.003 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.175 0.389 -0.666 0.00 0.00 +0.139 C BRANCH 19 20 ATOM 20 C LIG 1 2.205 -0.004 0.404 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 3.545 -0.379 -0.074 0.00 0.00 -0.300 NA ATOM 22 C LIG 1 4.211 0.657 -0.859 0.00 0.00 +0.087 C ATOM 23 C LIG 1 5.715 0.376 -0.979 0.00 0.00 +0.050 C ATOM 24 C LIG 1 5.997 -1.129 -0.924 0.00 0.00 +0.074 C ATOM 25 O LIG 1 7.257 -1.428 -1.592 0.00 0.00 -0.373 OA ATOM 26 C LIG 1 7.886 -1.748 -0.330 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.558 -1.669 0.412 0.00 0.00 +0.063 C ATOM 28 C LIG 1 4.862 -1.940 -1.532 0.00 0.00 +0.050 C ATOM 29 C LIG 1 3.577 -1.694 -0.730 0.00 0.00 +0.087 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.382 3.272 0.203 0.00 0.00 +0.109 C BRANCH 30 31 ATOM 31 C LIG 1 0.567 3.790 -1.207 0.00 0.00 -0.040 A ATOM 32 C LIG 1 1.843 4.159 -1.661 0.00 0.00 +0.004 A ATOM 33 C LIG 1 2.021 4.651 -2.956 0.00 0.00 +0.000 A ATOM 34 C LIG 1 0.927 4.791 -3.806 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -0.348 4.448 -3.361 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.529 3.957 -2.068 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6