REMARK Name = BDB015903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.573 2.168 -0.486 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.717 1.294 0.073 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.559 1.684 0.266 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -0.997 2.965 -0.068 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.037 3.783 -0.634 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.239 3.415 -0.862 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.705 -0.016 -0.538 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.389 0.430 -0.330 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.963 1.721 -0.711 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.918 2.561 -1.312 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.231 2.135 -1.524 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.621 0.853 -1.139 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.661 -4.854 0.594 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.078 -3.494 0.355 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.370 -3.160 0.514 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.393 -1.858 0.216 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.119 -1.351 -0.137 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.290 -2.451 -0.038 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.345 3.445 0.163 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.081 4.198 -0.729 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.289 4.422 -0.132 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.405 5.160 -0.673 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.393 3.866 1.087 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.208 3.280 1.270 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.450 0.750 0.854 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.323 0.758 0.329 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.036 -0.581 1.214 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -0.978 -1.553 0.003 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -2.333 -2.062 0.422 0.00 0.00 -0.023 C ATOM 30 C LIG 1 -3.543 -1.720 -0.426 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -4.097 -3.112 -0.021 0.00 0.00 +0.052 C ATOM 32 C LIG 1 -2.647 -3.537 0.333 0.00 0.00 +0.025 C ATOM 33 C LIG 1 -2.214 -1.417 1.785 0.00 0.00 +0.029 C BRANCH 31 34 ATOM 34 N LIG 1 -4.540 -3.823 -1.214 0.00 0.00 -0.327 NA ATOM 35 H LIG 1 -4.767 -4.802 -1.044 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -3.878 -3.821 -1.988 0.00 0.00 +0.118 HD ENDBRANCH 31 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6