REMARK Name = BDB020176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.983 -0.053 -1.493 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -1.072 -1.228 -0.753 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -2.284 -1.529 -0.148 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -3.363 -0.715 -0.247 0.00 0.00 -0.250 NA ATOM 5 C LIG 1 -3.255 0.446 -0.948 0.00 0.00 +0.062 A ATOM 6 C LIG 1 -2.086 0.785 -1.618 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.481 -2.766 0.628 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.888 -2.753 1.984 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -3.164 -1.468 2.721 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.081 -3.971 2.662 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.858 -5.180 2.015 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.042 -6.328 2.680 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.454 -5.214 0.691 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -2.270 -4.015 0.001 0.00 0.00 +0.013 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.426 0.103 -1.454 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.343 -0.018 -0.453 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.276 0.323 -2.175 0.00 0.00 +0.244 C ATOM 18 O LIG 1 0.249 0.826 -3.290 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.690 0.591 -1.954 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.311 -1.598 -0.272 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.873 -0.694 0.637 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.414 0.621 0.711 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.385 1.033 -0.137 0.00 0.00 +0.051 A ATOM 24 C LIG 1 3.817 0.146 -1.063 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.285 -1.175 -1.119 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 5.299 -3.821 -1.118 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.847 -2.857 -0.228 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.874 1.587 1.564 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 6.963 1.231 2.409 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -4.497 1.317 -1.011 0.00 0.00 +0.180 C BRANCH 30 31 ATOM 31 N LIG 1 -4.218 2.736 -1.138 0.00 0.00 -0.311 N ATOM 32 C LIG 1 -3.646 3.510 -0.126 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -3.304 3.116 1.047 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -2.914 3.906 1.563 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -3.535 4.785 -0.695 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -3.012 5.945 -0.021 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -4.040 4.765 -1.988 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -4.457 3.521 -2.257 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8