REMARK Name = BDB024787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.199 -2.589 1.811 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.873 -1.589 0.877 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.951 -0.816 0.210 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.735 -1.694 -0.782 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.479 0.428 -0.559 0.00 0.00 +0.027 C ATOM 6 C LIG 1 4.376 1.136 0.191 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.238 0.168 0.330 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.897 0.569 0.159 0.00 0.00 +0.094 A ATOM 9 N LIG 1 1.395 1.804 -0.171 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.085 1.671 -0.218 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.279 0.377 0.086 0.00 0.00 -0.326 N ATOM 12 C LIG 1 0.867 -0.347 0.328 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.100 -1.681 0.664 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.436 -2.069 0.836 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.507 -1.175 0.682 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.406 -3.267 2.456 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.937 -3.695 2.950 0.00 0.00 +0.282 C ATOM 18 O LIG 1 6.550 -2.717 1.984 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.630 -0.151 0.154 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 -2.070 -0.767 -1.181 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 -3.486 -1.145 -1.245 0.00 0.00 -0.308 NA ATOM 22 H LIG 1 -4.075 -0.366 -0.940 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.806 -2.314 -0.425 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -5.271 -2.580 -0.474 0.00 0.00 +0.141 A ATOM 25 N LIG 1 -5.902 -3.236 -1.498 0.00 0.00 -0.251 N ATOM 26 C LIG 1 -5.326 -3.766 -2.706 0.00 0.00 +0.174 C ATOM 27 N LIG 1 -7.224 -3.339 -1.266 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 -7.340 -2.703 -0.100 0.00 0.00 +0.245 A ATOM 29 N LIG 1 -6.174 -2.216 0.418 0.00 0.00 -0.218 NA ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -0.873 2.770 -0.549 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -1.192 3.612 0.689 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -2.369 4.460 0.487 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -2.217 5.646 -0.236 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -1.161 6.040 -0.721 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -3.451 6.458 -0.420 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -4.621 6.032 0.072 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.700 4.785 0.789 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -3.598 4.048 0.975 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9