REMARK Name = BDB029737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.154 1.281 -0.651 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.475 0.523 0.319 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.163 0.566 -0.040 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.163 0.096 0.417 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.039 0.805 -0.577 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.290 1.542 -1.536 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.666 2.224 -2.475 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.085 1.363 -1.137 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.298 1.821 -1.515 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.467 0.779 -0.502 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.119 0.303 0.647 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -5.500 0.297 0.682 0.00 0.00 +0.168 A ATOM 13 O LIG 1 -6.257 -0.121 1.733 0.00 0.00 -0.453 OA ATOM 14 C LIG 1 -7.585 0.100 1.215 0.00 0.00 +0.466 C ATOM 15 O LIG 1 -7.594 0.652 -0.116 0.00 0.00 -0.452 OA ATOM 16 C LIG 1 -6.260 0.738 -0.372 0.00 0.00 +0.169 A ATOM 17 C LIG 1 -5.678 1.208 -1.530 0.00 0.00 -0.003 A ATOM 18 C LIG 1 -6.501 1.716 -2.671 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -4.269 1.233 -1.576 0.00 0.00 +0.030 A ENDBRANCH 5 10 BRANCH 4 20 ATOM 20 C LIG 1 -1.317 -1.416 0.357 0.00 0.00 -0.021 A ATOM 21 C LIG 1 -1.645 -2.136 1.520 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -1.795 -3.525 1.482 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -1.619 -4.209 0.282 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -1.799 -5.919 0.240 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -1.296 -3.517 -0.881 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.148 -2.128 -0.845 0.00 0.00 +0.007 A ENDBRANCH 4 20 BRANCH 1 30 ATOM 27 C LIG 1 6.227 2.178 -0.769 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.903 0.877 -0.806 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.583 0.595 -0.785 0.00 0.00 +0.231 A ATOM 30 C LIG 1 3.587 1.552 -0.690 0.00 0.00 +0.097 A ATOM 31 C LIG 1 4.050 2.851 -0.686 0.00 0.00 +0.133 A ATOM 32 N LIG 1 5.356 3.192 -0.706 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.444 1.468 -0.945 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.550 2.558 -0.776 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 4.195 -0.731 -0.842 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 5.262 -1.627 -1.134 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 2.063 -0.056 1.524 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.413 0.473 2.805 0.00 0.00 +0.030 C ATOM 39 C LIG 1 2.084 -1.583 1.503 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6