REMARK Name = BDB047541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.897 -0.267 -1.935 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.246 -0.808 -0.782 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 4.999 0.850 0.491 0.00 0.00 +0.033 C ATOM 4 C LIG 1 3.624 0.287 0.255 0.00 0.00 -0.040 A ATOM 5 C LIG 1 3.033 0.882 -0.867 0.00 0.00 -0.040 A ATOM 6 C LIG 1 1.741 0.561 -1.266 0.00 0.00 +0.049 A ATOM 7 C LIG 1 1.026 -0.378 -0.521 0.00 0.00 +0.121 A ATOM 8 C LIG 1 1.611 -0.954 0.618 0.00 0.00 +0.046 A ATOM 9 C LIG 1 3.931 1.913 -1.474 0.00 0.00 +0.036 C ATOM 10 C LIG 1 2.907 -0.617 1.020 0.00 0.00 +0.008 A ATOM 11 C LIG 1 5.288 1.532 -0.869 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 6.134 -0.094 0.945 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 6.253 -1.717 -1.069 0.00 0.00 +0.004 C ATOM 14 C LIG 1 6.132 -1.552 0.436 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 6.168 -0.108 2.468 0.00 0.00 +0.308 C ATOM 16 O LIG 1 5.657 -0.964 3.173 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 6.827 0.950 2.998 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 7.194 1.573 2.344 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.288 -0.889 -2.056 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 -3.261 -0.302 -1.094 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -3.863 -0.839 0.030 0.00 0.00 +0.159 A ATOM 22 O LIG 1 -4.718 0.113 0.524 0.00 0.00 -0.435 OA ATOM 23 C LIG 1 -4.584 1.181 -0.321 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.735 0.978 -1.309 0.00 0.00 -0.213 NA BRANCH 21 25 ATOM 25 C LIG 1 -3.821 -2.093 0.770 0.00 0.00 +0.019 A ATOM 26 C LIG 1 -2.643 -2.845 0.866 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -2.616 -4.048 1.576 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.768 -4.516 2.203 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.947 -3.779 2.124 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.971 -2.576 1.414 0.00 0.00 +0.011 A ENDBRANCH 21 25 BRANCH 23 31 ATOM 31 C LIG 1 -5.390 2.362 -0.023 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -5.334 3.473 -0.879 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.094 4.616 -0.620 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.921 4.663 0.500 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.988 3.570 1.361 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.228 2.426 1.101 0.00 0.00 +0.013 A ENDBRANCH 23 31 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10