REMARK Name = BDB016047 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.537 -1.682 -0.010 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.034 -2.673 -0.853 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.304 -2.549 -1.174 0.00 0.00 +0.125 A ATOM 4 N LIG 1 2.107 -1.568 -0.717 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 1.540 -0.673 0.111 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.246 -0.700 0.482 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.811 -3.766 -1.399 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -1.625 -4.607 -0.669 0.00 0.00 +0.116 A ATOM 9 N LIG 1 -2.138 -5.508 -1.556 0.00 0.00 -0.274 N ATOM 10 C LIG 1 -3.045 -6.593 -1.268 0.00 0.00 +0.172 C ATOM 11 N LIG 1 -1.710 -5.317 -2.817 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 -0.894 -4.265 -2.718 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 2.388 0.412 0.646 0.00 0.00 +0.020 A ATOM 14 C LIG 1 3.744 0.537 0.276 0.00 0.00 +0.020 A ATOM 15 C LIG 1 4.563 1.565 0.774 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.013 2.490 1.667 0.00 0.00 +0.008 A ATOM 17 C LIG 1 2.677 2.393 2.052 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.877 1.366 1.546 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 5.957 1.647 0.367 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.704 2.806 0.299 0.00 0.00 +0.116 A ATOM 21 N LIG 1 7.944 2.440 -0.139 0.00 0.00 -0.274 N ATOM 22 C LIG 1 9.073 3.306 -0.374 0.00 0.00 +0.172 C ATOM 23 N LIG 1 8.066 1.121 -0.364 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 6.857 0.641 -0.060 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 -1.899 -1.696 0.388 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.471 -1.905 -0.427 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 -4.121 0.673 1.292 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -2.823 0.618 0.439 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -2.459 -0.669 1.214 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.973 -0.864 1.458 0.00 0.00 +0.027 C BRANCH 27 31 ATOM 31 C LIG 1 -5.389 1.133 0.600 0.00 0.00 +0.107 C BRANCH 31 34 ATOM 32 C LIG 1 -5.879 4.674 -0.625 0.00 0.00 +0.109 C ATOM 33 C LIG 1 -6.068 3.182 -0.561 0.00 0.00 +0.210 C ATOM 34 N LIG 1 -5.245 2.550 0.344 0.00 0.00 -0.315 N ATOM 35 H LIG 1 -4.782 3.122 1.040 0.00 0.00 +0.149 HD ATOM 36 O LIG 1 -6.896 2.599 -1.253 0.00 0.00 -0.276 OA ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 7