REMARK Name = BDB006349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.808 -0.600 -1.278 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.480 -0.561 0.086 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.288 -1.171 0.529 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.682 -1.312 1.807 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.490 -2.010 1.639 0.00 0.00 +0.087 A ATOM 6 N LIG 1 0.636 -2.283 0.300 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.448 -1.790 -0.403 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.759 -1.821 -1.772 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.947 -1.212 -2.192 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -5.124 0.070 -0.927 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -5.081 -0.458 -0.067 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -4.056 0.025 -1.797 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -4.108 0.437 -2.950 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -7.182 -0.456 -2.175 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -6.420 0.579 -1.340 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -7.186 1.044 -0.111 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -7.858 0.146 0.736 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -8.532 0.602 1.873 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -8.530 1.968 2.177 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -7.854 2.877 1.355 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -7.184 2.411 0.221 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -9.235 2.450 3.371 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -9.801 1.609 4.084 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -9.222 3.668 3.597 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 1.758 -3.030 -0.260 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.007 -2.189 -0.348 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.097 -1.125 -1.255 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.260 -0.352 -1.333 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.365 -0.617 -0.510 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.267 -1.684 0.396 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.106 -2.461 0.477 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.587 0.200 -0.593 0.00 0.00 -0.018 A ATOM 33 C LIG 1 7.121 0.820 0.550 0.00 0.00 +0.013 A ATOM 34 C LIG 1 8.283 1.608 0.483 0.00 0.00 -0.033 A ATOM 35 C LIG 1 8.928 1.761 -0.750 0.00 0.00 +0.005 A ATOM 36 C LIG 1 8.414 1.155 -1.894 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.252 0.383 -1.815 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 C LIG 1 8.847 2.243 1.727 0.00 0.00 +0.113 C BRANCH 38 39 ATOM 39 N LIG 1 9.787 1.350 2.396 0.00 0.00 -0.326 NA ATOM 40 H LIG 1 10.524 1.102 1.737 0.00 0.00 +0.119 HD ATOM 41 H LIG 1 9.309 0.476 2.609 0.00 0.00 +0.119 HD ENDBRANCH 38 39 ENDBRANCH 34 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9