REMARK Name = BDB024839 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.733 -2.655 0.310 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.357 -1.301 0.362 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.292 -0.383 1.046 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.568 -0.161 0.218 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.707 0.996 1.392 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.260 0.874 1.818 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.504 0.276 0.666 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.231 0.743 0.281 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.490 1.769 0.810 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.611 1.837 0.093 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.642 0.830 -0.853 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.560 0.155 -0.786 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.122 -0.883 -1.532 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.384 -1.347 -1.137 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.072 -0.807 -0.042 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.838 -3.066 0.656 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.106 -4.883 -0.096 0.00 0.00 +0.282 C ATOM 18 O LIG 1 3.741 -3.503 -0.090 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.725 0.562 -1.790 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.105 -0.904 -1.911 0.00 0.00 +0.235 C ATOM 21 N LIG 1 -2.771 -1.539 -0.856 0.00 0.00 -0.300 N ATOM 22 C LIG 1 -2.899 -2.994 -0.955 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -4.095 -3.534 -0.182 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -4.075 -3.041 1.265 0.00 0.00 +0.094 C ATOM 25 C LIG 1 -4.040 -1.513 1.282 0.00 0.00 +0.037 C ATOM 26 C LIG 1 -2.852 -0.978 0.493 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -1.852 -1.501 -2.963 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -5.252 -3.538 1.996 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -6.179 -3.928 2.575 0.00 0.00 -0.196 NA ENDBRANCH 24 28 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.662 2.882 0.277 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 -1.438 4.049 -0.676 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 -2.568 4.955 -0.673 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -3.721 4.572 -1.258 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 -4.526 5.623 -1.079 0.00 0.00 +0.134 A ATOM 35 C LIG 1 -3.896 6.667 -0.378 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -2.626 6.203 -0.127 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7