REMARK Name = BDB051128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.065 0.197 -1.394 0.00 0.00 -0.308 N ATOM 2 H LIG 1 -0.368 0.771 -0.614 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.283 0.146 -1.678 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.781 -0.663 -2.459 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -0.999 -0.799 -1.904 0.00 0.00 +0.102 C BRANCH 5 6 ATOM 6 C LIG 1 -2.422 -0.202 -2.101 0.00 0.00 +0.137 C BRANCH 6 7 ATOM 7 O LIG 1 -3.216 -1.079 -2.913 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 -2.775 -1.151 -3.779 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -3.200 0.066 -0.807 0.00 0.00 +0.064 C BRANCH 9 10 ATOM 10 C LIG 1 -4.395 1.003 -1.047 0.00 0.00 +0.120 C BRANCH 10 12 ATOM 11 C LIG 1 -6.608 1.878 -0.160 0.00 0.00 +0.010 C ATOM 12 C LIG 1 -5.353 1.061 0.167 0.00 0.00 +0.011 C ATOM 13 C LIG 1 -4.696 1.628 1.429 0.00 0.00 +0.010 C ENDBRANCH 10 12 BRANCH 10 14 ATOM 14 O LIG 1 -3.871 2.302 -1.336 0.00 0.00 -0.391 OA ATOM 15 H LIG 1 -4.611 2.850 -1.650 0.00 0.00 +0.210 HD ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 BRANCH 5 16 ATOM 16 C LIG 1 -0.936 -2.161 -1.167 0.00 0.00 +0.028 C BRANCH 16 17 ATOM 17 C LIG 1 -0.985 -2.180 0.379 0.00 0.00 -0.009 C ATOM 18 C LIG 1 0.335 -1.709 1.028 0.00 0.00 +0.003 C ATOM 19 C LIG 1 0.615 -2.327 2.401 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.669 -2.640 3.151 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -1.534 -3.644 2.389 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -1.336 -3.594 0.872 0.00 0.00 +0.003 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 5 BRANCH 3 23 ATOM 23 C LIG 1 2.125 1.235 -0.992 0.00 0.00 +0.165 C BRANCH 23 24 ATOM 24 N LIG 1 3.472 0.682 -0.815 0.00 0.00 -0.298 N ATOM 25 H LIG 1 3.851 0.238 -1.644 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.821 0.084 0.376 0.00 0.00 +0.261 C ATOM 27 O LIG 1 3.165 0.230 1.402 0.00 0.00 -0.269 OA BRANCH 26 28 ATOM 28 C LIG 1 5.022 -0.720 0.336 0.00 0.00 +0.102 A ATOM 29 N LIG 1 5.440 -1.436 1.439 0.00 0.00 -0.357 N ATOM 30 H LIG 1 4.943 -1.447 2.322 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 6.597 -2.110 1.158 0.00 0.00 +0.083 A ATOM 32 C LIG 1 6.942 -1.832 -0.143 0.00 0.00 +0.020 A ATOM 33 C LIG 1 5.955 -0.957 -0.662 0.00 0.00 +0.032 A ENDBRANCH 26 28 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 2.134 2.484 -1.884 0.00 0.00 +0.086 C BRANCH 34 35 ATOM 35 C LIG 1 2.667 3.697 -1.196 0.00 0.00 +0.038 A ATOM 36 N LIG 1 3.825 3.710 -0.455 0.00 0.00 -0.348 N ATOM 37 H LIG 1 4.427 2.918 -0.272 0.00 0.00 +0.166 HD ATOM 38 C LIG 1 3.998 4.977 0.021 0.00 0.00 +0.196 A ATOM 39 N LIG 1 3.036 5.777 -0.377 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 2.204 4.994 -1.133 0.00 0.00 +0.133 A ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 3 23 TORSDOF 14