REMARK Name = BDB060000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.976 -1.145 -1.175 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.843 -2.526 -1.803 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.298 -2.737 -3.116 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.164 -3.987 -3.723 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.569 -5.041 -3.033 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.102 -4.846 -1.734 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.234 -3.597 -1.125 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.229 -0.472 -0.350 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -0.112 -1.066 0.402 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.667 -0.332 -1.398 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.501 0.335 -2.416 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.079 1.170 0.231 0.00 0.00 -0.015 A ATOM 13 C LIG 1 3.362 1.486 -0.928 0.00 0.00 +0.010 A ATOM 14 C LIG 1 2.087 0.947 -1.150 0.00 0.00 +0.024 A ATOM 15 C LIG 1 1.504 0.097 -0.208 0.00 0.00 +0.033 A ATOM 16 C LIG 1 2.220 -0.217 0.954 0.00 0.00 +0.024 A ATOM 17 C LIG 1 3.498 0.314 1.171 0.00 0.00 +0.010 A BRANCH 12 22 ATOM 18 C LIG 1 8.863 1.703 1.427 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.515 1.949 0.970 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.180 3.171 0.516 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 5.889 3.041 0.197 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.394 1.740 0.449 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.483 1.054 0.950 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.287 -1.179 0.288 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.223 -0.216 0.631 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.655 -1.654 0.568 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.787 -0.664 0.220 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.654 0.678 0.903 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.862 0.796 2.282 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.722 2.033 2.917 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.374 3.167 2.179 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.163 3.056 0.802 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.306 1.819 0.167 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.231 4.435 2.832 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -4.115 5.457 3.368 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9