REMARK Name = BDB014011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.739 -0.252 -1.938 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -2.456 -1.070 -1.825 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -2.383 -2.133 -2.454 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.399 -0.610 -1.036 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.469 0.469 -0.080 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -2.178 1.673 -0.265 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.159 2.649 0.766 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.472 2.458 1.958 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.775 1.282 2.148 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -2.930 2.121 -1.496 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.775 0.310 1.144 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.359 1.098 -2.527 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -5.820 0.217 -0.680 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -4.514 -0.217 -0.705 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -4.020 -0.346 0.169 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -6.402 0.597 -1.695 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -6.463 0.274 0.733 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -6.285 -1.024 1.520 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -8.796 -0.321 0.190 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -7.877 0.718 0.644 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -7.903 1.470 -0.051 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.184 -1.461 -1.061 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 1.131 -0.702 -1.224 0.00 0.00 -0.022 A ATOM 24 C LIG 1 2.317 -1.037 -0.499 0.00 0.00 -0.013 A ATOM 25 C LIG 1 3.503 -0.268 -0.696 0.00 0.00 -0.014 A ATOM 26 C LIG 1 4.690 -0.572 0.046 0.00 0.00 -0.035 A ATOM 27 C LIG 1 4.679 -1.650 0.946 0.00 0.00 +0.004 A ATOM 28 C LIG 1 3.538 -2.414 1.126 0.00 0.00 +0.001 A ATOM 29 C LIG 1 3.462 0.780 -1.643 0.00 0.00 +0.009 A ATOM 30 C LIG 1 2.319 1.070 -2.381 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.380 -2.112 0.415 0.00 0.00 +0.009 A ATOM 32 C LIG 1 1.167 0.330 -2.179 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 33 C LIG 1 5.956 0.257 -0.156 0.00 0.00 +0.070 C BRANCH 33 34 ATOM 34 C LIG 1 7.154 -0.057 0.715 0.00 0.00 -0.043 A ATOM 35 C LIG 1 8.135 -0.961 0.280 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.231 -1.259 1.091 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.358 -0.659 2.342 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.387 0.237 2.787 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.290 0.537 1.979 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7