REMARK Name = BDB034365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.708 -0.469 -1.690 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.039 -0.025 -1.425 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.039 -0.316 -2.383 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -4.340 0.125 -2.169 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.714 0.840 -1.022 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.740 1.115 -0.065 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -2.800 -1.013 -3.503 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -1.553 -1.476 -3.695 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.426 0.686 -0.261 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.500 -1.248 -2.830 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 0.319 -0.230 -0.760 0.00 0.00 -0.343 N ATOM 12 H LIG 1 0.174 0.639 -0.252 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 1.733 -0.436 -1.069 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 2.275 0.677 -1.965 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 3.738 0.471 -2.369 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 4.640 0.563 -1.222 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 4.496 -0.229 -0.596 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 6.043 0.512 -1.657 0.00 0.00 +0.120 C BRANCH 18 21 ATOM 19 C LIG 1 8.662 -0.462 0.982 0.00 0.00 +0.162 A ATOM 20 C LIG 1 7.795 -0.517 -0.122 0.00 0.00 +0.163 A ATOM 21 C LIG 1 6.974 0.559 -0.470 0.00 0.00 +0.011 A ATOM 22 C LIG 1 7.032 1.714 0.325 0.00 0.00 +0.009 A ATOM 23 C LIG 1 7.887 1.782 1.427 0.00 0.00 +0.004 A ATOM 24 C LIG 1 8.703 0.696 1.756 0.00 0.00 +0.049 A BRANCH 19 26 ATOM 25 C LIG 1 10.288 -1.586 2.304 0.00 0.00 +0.277 C ATOM 26 O LIG 1 9.403 -1.599 1.190 0.00 0.00 -0.491 OA ENDBRANCH 19 26 BRANCH 20 27 ATOM 27 O LIG 1 7.758 -1.667 -0.871 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 8.408 -2.261 -0.447 0.00 0.00 +0.292 HD ENDBRANCH 20 27 ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -6.143 1.295 -0.833 0.00 0.00 +0.070 C BRANCH 29 30 ATOM 30 C LIG 1 -6.840 0.670 0.354 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -7.250 1.462 1.437 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -7.885 0.889 2.546 0.00 0.00 -0.050 A ATOM 33 C LIG 1 -8.339 1.750 3.688 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -8.138 -0.488 2.553 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -7.754 -1.293 1.474 0.00 0.00 -0.050 A ATOM 36 C LIG 1 -7.994 -2.774 1.506 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -7.094 -0.709 0.386 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 11