REMARK Name = BDB013572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.271 0.551 1.164 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.335 -0.514 2.083 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.790 -0.810 3.036 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -1.487 -1.309 2.121 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.555 -1.065 1.257 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.507 -0.023 0.317 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.355 0.775 0.289 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.936 1.475 1.091 0.00 0.00 +0.144 C BRANCH 8 15 ATOM 9 C LIG 1 6.547 -2.121 0.689 0.00 0.00 +0.120 A ATOM 10 C LIG 1 5.921 -1.605 -0.449 0.00 0.00 +0.051 A ATOM 11 C LIG 1 5.000 -0.538 -0.361 0.00 0.00 -0.017 A ATOM 12 C LIG 1 4.346 -0.049 -1.628 0.00 0.00 +0.041 C ATOM 13 C LIG 1 2.838 -0.340 -1.651 0.00 0.00 +0.006 C ATOM 14 C LIG 1 2.029 0.791 -1.010 0.00 0.00 +0.113 C ATOM 15 N LIG 1 2.127 0.810 0.478 0.00 0.00 -0.172 NA ATOM 16 S LIG 1 3.607 1.382 1.115 0.00 0.00 +0.061 S ATOM 17 O LIG 1 3.433 1.562 2.545 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 4.074 2.474 0.287 0.00 0.00 -0.153 OA ATOM 19 C LIG 1 2.379 -0.522 -3.105 0.00 0.00 +0.009 C ATOM 20 C LIG 1 4.717 0.001 0.903 0.00 0.00 +0.109 A ATOM 21 C LIG 1 5.332 -0.526 2.048 0.00 0.00 +0.032 A ATOM 22 C LIG 1 6.236 -1.584 1.938 0.00 0.00 +0.047 A BRANCH 9 24 ATOM 23 C LIG 1 7.942 -3.598 -0.544 0.00 0.00 +0.277 C ATOM 24 O LIG 1 7.456 -3.142 0.714 0.00 0.00 -0.495 OA ENDBRANCH 9 24 ENDBRANCH 8 15 ENDBRANCH 1 8 BRANCH 6 25 ATOM 25 C LIG 1 -3.708 0.175 -0.612 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 -4.971 0.683 0.094 0.00 0.00 -0.036 A ATOM 27 C LIG 1 -6.241 0.100 -0.119 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -6.445 -1.090 -1.020 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -7.363 0.618 0.559 0.00 0.00 +0.022 A ATOM 30 C LIG 1 -7.246 1.705 1.431 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -5.997 2.281 1.641 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.875 1.774 0.982 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -8.402 2.216 2.108 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -9.345 2.624 2.650 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -3.459 0.864 -1.975 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -3.365 2.374 -1.995 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -3.044 3.093 -1.064 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.613 2.885 -3.228 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -3.802 2.227 -3.925 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 6 25 TORSDOF 9