REMARK Name = BDB010271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.088 2.646 1.473 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.554 1.500 1.931 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.398 0.272 1.831 0.00 0.00 +0.265 A ATOM 4 O LIG 1 1.111 -0.671 2.571 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 2.493 0.348 0.990 0.00 0.00 -0.232 N ATOM 6 C LIG 1 2.907 1.591 0.554 0.00 0.00 +0.123 A ATOM 7 N LIG 1 2.286 2.698 0.813 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.231 -0.843 0.757 0.00 0.00 +0.239 A ATOM 9 N LIG 1 4.552 -0.774 0.502 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 5.225 -1.931 0.289 0.00 0.00 +0.161 A ATOM 11 C LIG 1 4.645 -3.174 0.311 0.00 0.00 +0.157 A ATOM 12 C LIG 1 3.294 -3.147 0.560 0.00 0.00 +0.161 A ATOM 13 N LIG 1 2.581 -2.020 0.774 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 5.221 -4.385 0.108 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 6.642 -4.449 -0.026 0.00 0.00 +0.226 C ATOM 16 C LIG 1 7.052 -4.284 -1.479 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 4.108 1.767 -0.313 0.00 0.00 +0.056 C ATOM 18 C LIG 1 4.090 2.758 -1.461 0.00 0.00 +0.012 C ATOM 19 C LIG 1 4.086 1.290 -1.751 0.00 0.00 +0.012 C ENDBRANCH 6 17 BRANCH 1 20 ATOM 20 C LIG 1 0.441 4.009 1.645 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 -0.578 4.395 0.567 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 22 C LIG 1 -1.041 4.868 -1.863 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -0.013 4.378 -0.854 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -0.781 1.330 2.610 0.00 0.00 +0.079 C BRANCH 24 25 ATOM 25 C LIG 1 -1.733 0.419 1.871 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -2.239 -0.724 2.479 0.00 0.00 +0.115 A ATOM 27 N LIG 1 -3.123 -1.571 1.901 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -3.548 -1.279 0.647 0.00 0.00 +0.072 A ATOM 29 C LIG 1 -3.065 -0.176 -0.053 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -2.160 0.683 0.569 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 C LIG 1 -4.485 -2.254 0.060 0.00 0.00 +0.011 A ATOM 32 C LIG 1 -5.711 -1.918 -0.554 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -6.525 -2.918 -1.122 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -6.135 -4.256 -1.087 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.937 -4.608 -0.478 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.129 -3.620 0.090 0.00 0.00 +0.011 A BRANCH 32 37 ATOM 37 C LIG 1 -6.217 -0.536 -0.596 0.00 0.00 +0.183 A ATOM 38 N LIG 1 -6.809 -0.073 -1.706 0.00 0.00 -0.271 N ATOM 39 H LIG 1 -6.943 -0.521 -2.595 0.00 0.00 +0.174 HD ATOM 40 C LIG 1 -7.137 1.205 -1.463 0.00 0.00 +0.440 A ATOM 41 O LIG 1 -7.665 1.967 -2.257 0.00 0.00 -0.221 OA ATOM 42 O LIG 1 -6.766 1.514 -0.180 0.00 0.00 -0.295 OA ATOM 43 N LIG 1 -6.155 0.335 0.353 0.00 0.00 -0.054 NA ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 11