REMARK Name = BDB058665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.096 -4.293 -0.661 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -1.714 -2.973 -0.333 0.00 0.00 +0.069 C ATOM 3 C LIG 1 -0.968 -1.808 0.178 0.00 0.00 +0.065 C ATOM 4 C LIG 1 0.353 -1.817 0.388 0.00 0.00 +0.061 C ATOM 5 C LIG 1 -2.004 -0.754 0.333 0.00 0.00 +0.272 C ATOM 6 O LIG 1 -1.821 0.388 0.709 0.00 0.00 -0.268 OA ATOM 7 N LIG 1 -3.181 -1.410 -0.073 0.00 0.00 -0.156 N ATOM 8 N LIG 1 -2.988 -2.731 -0.470 0.00 0.00 -0.177 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -4.495 -0.879 -0.130 0.00 0.00 +0.060 A ATOM 10 C LIG 1 -5.561 -1.680 -0.569 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -6.869 -1.182 -0.635 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -7.149 0.137 -0.262 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -6.090 0.941 0.177 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -4.782 0.440 0.242 0.00 0.00 +0.026 A BRANCH 12 15 ATOM 15 C LIG 1 -8.508 0.655 -0.330 0.00 0.00 +0.204 A ATOM 16 N LIG 1 -8.872 1.906 0.009 0.00 0.00 -0.133 NA ATOM 17 N LIG 1 -10.188 1.845 -0.237 0.00 0.00 -0.176 N ATOM 18 H LIG 1 -10.804 2.639 -0.088 0.00 0.00 +0.214 HD ATOM 19 N LIG 1 -10.650 0.676 -0.692 0.00 0.00 -0.049 NA ATOM 20 N LIG 1 -9.578 -0.101 -0.757 0.00 0.00 -0.108 NA ENDBRANCH 12 15 ENDBRANCH 7 9 BRANCH 4 21 ATOM 21 C LIG 1 1.133 -0.741 0.888 0.00 0.00 +0.129 A ATOM 22 O LIG 1 2.429 -0.552 0.458 0.00 0.00 -0.455 OA ATOM 23 C LIG 1 2.969 0.515 1.112 0.00 0.00 +0.138 A ATOM 24 C LIG 1 2.039 1.031 1.984 0.00 0.00 +0.050 A ATOM 25 C LIG 1 0.881 0.225 1.853 0.00 0.00 +0.050 A BRANCH 23 26 ATOM 26 C LIG 1 4.343 0.846 0.748 0.00 0.00 +0.048 A ATOM 27 C LIG 1 5.310 1.286 1.656 0.00 0.00 +0.137 A ATOM 28 C LIG 1 6.612 1.634 1.264 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.984 1.539 -0.083 0.00 0.00 -0.045 A ATOM 30 C LIG 1 8.384 1.912 -0.491 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.040 1.081 -1.023 0.00 0.00 -0.047 A ATOM 32 C LIG 1 6.387 0.956 -2.483 0.00 0.00 +0.044 C ATOM 33 C LIG 1 4.738 0.745 -0.597 0.00 0.00 +0.017 A BRANCH 27 34 ATOM 34 N LIG 1 5.013 1.365 3.068 0.00 0.00 +0.057 N ATOM 35 O LIG 1 4.948 0.300 3.695 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 4.873 2.499 3.547 0.00 0.00 -0.126 OA ENDBRANCH 27 34 ENDBRANCH 23 26 ENDBRANCH 4 21 TORSDOF 5