REMARK Name = BDB038413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.356 -0.091 -0.553 0.00 0.00 +0.006 A ATOM 2 C LIG 1 -3.014 0.149 -0.256 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -2.278 -0.831 0.394 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.833 -2.010 0.759 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -4.141 -2.249 0.489 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.919 -1.306 -0.175 0.00 0.00 +0.033 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.919 -0.655 0.708 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -0.095 0.408 0.369 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.315 1.413 -0.281 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.224 0.116 0.948 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.155 -1.112 1.600 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.269 -1.629 2.235 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.453 -0.883 2.199 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.521 0.367 1.538 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.381 0.872 0.896 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.220 -1.678 1.471 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.822 1.135 1.508 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.782 0.475 0.623 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 5.373 0.426 -0.311 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.047 1.228 0.566 0.00 0.00 +0.116 C BRANCH 20 21 ATOM 21 C LIG 1 8.079 0.459 -0.283 0.00 0.00 +0.078 C ATOM 22 C LIG 1 9.454 1.122 -0.301 0.00 0.00 +0.036 C ATOM 23 C LIG 1 10.163 0.485 -1.494 0.00 0.00 +0.003 C ATOM 24 C LIG 1 9.060 0.022 -2.446 0.00 0.00 +0.003 C ATOM 25 C LIG 1 7.734 0.372 -1.770 0.00 0.00 +0.036 C BRANCH 21 26 ATOM 26 O LIG 1 8.204 -0.868 0.243 0.00 0.00 -0.387 OA ATOM 27 H LIG 1 7.298 -1.108 0.528 0.00 0.00 +0.210 HD ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 29 ATOM 28 C LIG 1 -6.302 1.608 -0.864 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -5.160 0.916 -1.247 0.00 0.00 +0.079 A ATOM 30 N LIG 1 -4.877 1.380 -2.516 0.00 0.00 -0.266 N ATOM 31 C LIG 1 -3.802 0.963 -3.390 0.00 0.00 +0.173 C ATOM 32 N LIG 1 -5.742 2.313 -2.960 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 -6.603 2.447 -1.951 0.00 0.00 +0.146 A BRANCH 28 36 ATOM 34 C LIG 1 -8.920 3.157 0.263 0.00 0.00 +0.152 C ATOM 35 N LIG 1 -8.166 2.137 0.936 0.00 0.00 -0.316 N ATOM 36 C LIG 1 -7.053 1.465 0.499 0.00 0.00 +0.167 A ATOM 37 N LIG 1 -6.688 0.626 1.451 0.00 0.00 -0.129 NA ATOM 38 N LIG 1 -7.564 0.739 2.502 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 -8.444 1.655 2.179 0.00 0.00 +0.225 A ENDBRANCH 28 36 ENDBRANCH 1 29 BRANCH 5 40 ATOM 40 C LIG 1 -4.744 -3.558 0.940 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -5.156 -4.593 -0.083 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.965 -4.845 0.791 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9