REMARK Name = BDB032088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.167 1.288 0.217 0.00 0.00 +0.077 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 -1.772 1.414 -1.710 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -2.814 0.645 -2.176 0.00 0.00 +0.347 A ATOM 4 O LIG 1 -3.551 0.891 -3.119 0.00 0.00 -0.245 OA ATOM 5 N LIG 1 -2.853 -0.465 -1.335 0.00 0.00 -0.209 N ATOM 6 N LIG 1 -1.900 -0.352 -0.351 0.00 0.00 -0.153 NA ATOM 7 C LIG 1 -1.302 0.773 -0.624 0.00 0.00 +0.134 A BRANCH 2 9 ATOM 8 C LIG 1 -0.679 2.514 -3.625 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -1.398 2.688 -2.296 0.00 0.00 +0.125 C ENDBRANCH 2 9 BRANCH 5 10 ATOM 10 C LIG 1 -3.864 -1.494 -1.346 0.00 0.00 +0.184 C BRANCH 10 11 ATOM 11 C LIG 1 -5.048 -1.138 -0.481 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -5.056 -1.452 0.880 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -6.148 -1.107 1.683 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -7.265 -0.429 1.157 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -7.234 -0.106 -0.209 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -6.142 -0.451 -1.015 0.00 0.00 +0.006 A BRANCH 14 17 ATOM 17 C LIG 1 -8.448 -0.064 2.071 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -7.960 0.865 3.204 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -9.043 -1.349 2.688 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -9.598 0.667 1.343 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 10 11 ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 1.193 1.101 -0.450 0.00 0.00 +0.012 C BRANCH 21 22 ATOM 22 C LIG 1 1.563 -0.375 -0.629 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 2.924 -0.524 -1.262 0.00 0.00 -0.047 A ATOM 24 C LIG 1 4.080 -0.559 -0.466 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.361 -0.671 -1.034 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.457 -0.743 -2.433 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.315 -0.705 -3.236 0.00 0.00 +0.001 A ATOM 28 C LIG 1 3.054 -0.594 -2.654 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 6.565 -0.710 -0.188 0.00 0.00 -0.017 A ATOM 30 C LIG 1 7.635 0.166 -0.411 0.00 0.00 +0.027 A ATOM 31 C LIG 1 8.781 0.132 0.403 0.00 0.00 +0.101 A ATOM 32 C LIG 1 8.897 -0.803 1.442 0.00 0.00 +0.134 A ATOM 33 C LIG 1 7.832 -1.680 1.667 0.00 0.00 +0.047 A ATOM 34 C LIG 1 6.682 -1.628 0.866 0.00 0.00 +0.012 A BRANCH 31 35 ATOM 35 C LIG 1 9.842 1.107 0.085 0.00 0.00 +0.340 C ATOM 36 O LIG 1 10.224 1.393 -1.036 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 10.289 1.758 1.172 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 10.964 2.374 0.823 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 31 35 BRANCH 32 39 ATOM 39 O LIG 1 10.074 -0.829 2.139 0.00 0.00 -0.494 OA ATOM 40 C LIG 1 10.135 -1.645 3.302 0.00 0.00 +0.277 C ENDBRANCH 32 39 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12