REMARK Name = BDB048878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.257 -2.751 0.269 0.00 0.00 +0.119 A ATOM 2 N LIG 1 0.528 -3.832 -0.020 0.00 0.00 -0.263 N ATOM 3 H LIG 1 0.244 -4.801 -0.083 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 1.812 -3.533 -0.267 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 1.885 -2.201 -0.106 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.604 -1.678 0.234 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.150 -1.474 -0.272 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.273 -0.129 0.101 0.00 0.00 +0.010 A ATOM 9 C LIG 1 4.486 0.552 -0.063 0.00 0.00 +0.009 A ATOM 10 C LIG 1 5.607 -0.094 -0.603 0.00 0.00 -0.014 A ATOM 11 C LIG 1 5.485 -1.437 -0.978 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.273 -2.118 -0.812 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 6.880 0.620 -0.763 0.00 0.00 +0.024 A ATOM 14 C LIG 1 7.710 0.941 0.326 0.00 0.00 +0.128 A ATOM 15 C LIG 1 8.905 1.640 0.151 0.00 0.00 +0.091 A ATOM 16 C LIG 1 9.288 2.019 -1.130 0.00 0.00 +0.120 A ATOM 17 C LIG 1 8.496 1.711 -2.229 0.00 0.00 +0.046 A ATOM 18 C LIG 1 7.298 1.015 -2.046 0.00 0.00 +0.015 A BRANCH 14 19 ATOM 19 O LIG 1 7.409 0.584 1.615 0.00 0.00 -0.506 OA ATOM 20 H LIG 1 6.626 0.007 1.600 0.00 0.00 +0.292 HD ENDBRANCH 14 19 BRANCH 16 21 ATOM 21 O LIG 1 10.447 2.701 -1.353 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 10.891 2.840 -0.500 0.00 0.00 +0.292 HD ENDBRANCH 16 21 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 23 ATOM 23 N LIG 1 -1.572 -2.907 0.547 0.00 0.00 -0.300 N ATOM 24 H LIG 1 -1.951 -3.830 0.743 0.00 0.00 +0.154 HD BRANCH 23 28 ATOM 25 C LIG 1 -4.624 0.041 0.745 0.00 0.00 -0.033 A ATOM 26 C LIG 1 -4.712 -1.153 1.470 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.701 -2.115 1.381 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -2.580 -1.917 0.563 0.00 0.00 +0.032 A ATOM 29 C LIG 1 -2.497 -0.719 -0.155 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -3.508 0.246 -0.073 0.00 0.00 +0.007 A BRANCH 25 31 ATOM 31 C LIG 1 -5.721 1.076 0.838 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -6.948 0.585 0.208 0.00 0.00 -0.310 NA ATOM 33 H LIG 1 -6.711 0.264 -0.731 0.00 0.00 +0.122 HD BRANCH 32 35 ATOM 34 C LIG 1 -9.110 1.079 -0.788 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -7.998 1.607 0.123 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -8.580 1.947 1.497 0.00 0.00 +0.023 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 9