REMARK Name = BDB024631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.969 -0.278 -0.046 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.727 -0.937 -0.003 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.702 -2.391 0.253 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.668 -2.684 1.758 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.579 -3.084 -0.513 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.236 -2.507 -0.129 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.248 -1.006 -0.190 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.016 -0.316 -0.285 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.253 -0.832 -0.344 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.075 0.198 -0.410 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.368 1.386 -0.432 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.977 1.068 -0.328 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.139 1.833 -0.264 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.358 1.147 -0.158 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.452 -0.255 -0.123 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.171 0.893 -0.344 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.874 2.746 -0.559 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -1.590 3.259 0.696 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.953 4.638 0.536 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -2.852 4.836 -0.555 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.189 4.445 -1.870 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.704 2.997 -1.828 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.296 -0.494 0.254 0.00 0.00 +0.282 C ATOM 24 O LIG 1 7.008 -1.110 0.281 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.565 0.045 -0.464 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.052 -1.083 0.466 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.488 -1.466 0.136 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -5.571 -0.670 0.540 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -6.878 -1.038 0.217 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.117 -2.196 -0.520 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.050 -2.987 -0.939 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.741 -2.624 -0.616 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 33 ATOM 33 C LIG 1 -2.893 -0.682 1.930 0.00 0.00 +0.313 C ATOM 34 O LIG 1 -2.657 0.452 2.325 0.00 0.00 -0.250 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.085 -1.710 2.793 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -3.318 -2.547 2.345 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 26 33 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7