REMARK Name = BDB005092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 1.080 0.028 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.060 1.276 0.349 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.576 0.498 1.330 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.151 -0.512 1.970 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.486 -0.731 1.638 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.110 0.057 0.667 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.238 2.109 -1.411 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.949 1.904 -0.977 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.282 2.379 -1.575 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.434 2.603 -2.522 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -6.650 0.887 -0.326 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -5.495 1.145 -1.082 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -4.402 1.843 -0.543 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -4.447 2.336 0.760 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.569 2.080 1.538 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -6.643 1.358 1.002 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -9.071 0.651 -0.443 0.00 0.00 +0.129 C ATOM 18 N LIG 1 -7.743 0.162 -0.828 0.00 0.00 -0.336 N ATOM 19 C LIG 1 -7.664 -0.379 -2.185 0.00 0.00 +0.129 C ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.034 0.711 1.658 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.827 -0.290 0.974 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.437 -0.578 0.084 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 4.204 -0.328 1.079 0.00 0.00 +0.130 A ATOM 24 C LIG 1 5.033 -1.221 0.206 0.00 0.00 +0.037 A ATOM 25 C LIG 1 4.471 -2.179 -0.552 0.00 0.00 -0.013 C ATOM 26 C LIG 1 5.298 -3.072 -1.428 0.00 0.00 +0.033 C ATOM 27 C LIG 1 6.679 -2.492 -1.758 0.00 0.00 +0.046 C ATOM 28 C LIG 1 7.262 -1.626 -0.664 0.00 0.00 +0.040 C ATOM 29 C LIG 1 6.473 -1.032 0.259 0.00 0.00 +0.084 A ATOM 30 N LIG 1 6.966 -0.245 1.271 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 6.150 0.411 2.033 0.00 0.00 +0.223 A ATOM 32 N LIG 1 4.789 0.440 1.951 0.00 0.00 -0.220 NA BRANCH 28 33 ATOM 33 C LIG 1 8.748 -1.488 -0.735 0.00 0.00 +0.240 C ATOM 34 O LIG 1 9.379 -1.787 -1.744 0.00 0.00 -0.271 OA ATOM 35 N LIG 1 9.384 -1.046 0.377 0.00 0.00 -0.326 N ATOM 36 H LIG 1 8.836 -0.648 1.134 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 10.369 -0.840 0.315 0.00 0.00 +0.145 HD ENDBRANCH 28 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7