REMARK Name = BDB005045 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.450 0.798 0.965 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.308 1.442 0.462 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.933 1.363 1.120 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.023 0.632 2.309 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.108 0.016 2.840 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.334 0.111 2.178 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -2.686 0.975 0.302 0.00 0.00 -0.299 N ATOM 8 H LIG 1 -2.562 1.326 -0.640 0.00 0.00 +0.154 HD BRANCH 7 18 ATOM 9 C LIG 1 -6.677 3.813 -1.577 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -6.494 2.388 -1.143 0.00 0.00 -0.050 A ATOM 11 C LIG 1 -5.257 1.952 -0.647 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -5.056 0.624 -0.191 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.159 -0.258 -0.222 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -6.006 -1.563 0.244 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -4.773 -1.952 0.727 0.00 0.00 +0.113 A ATOM 16 N LIG 1 -3.695 -1.147 0.767 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -7.399 0.186 -0.711 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.823 0.121 0.310 0.00 0.00 +0.131 A ATOM 19 C LIG 1 -7.565 1.496 -1.165 0.00 0.00 +0.004 A ENDBRANCH 7 18 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 C LIG 1 2.159 2.017 0.524 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.839 1.093 -0.380 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.172 0.433 -0.774 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.933 0.366 0.138 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.584 -0.581 -0.685 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.667 -1.278 -0.112 0.00 0.00 +0.088 A ATOM 26 C LIG 1 6.321 -2.240 -0.911 0.00 0.00 +0.063 A ATOM 27 C LIG 1 5.912 -2.494 -2.235 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.858 -1.792 -2.795 0.00 0.00 +0.002 A ATOM 29 N LIG 1 6.050 -1.021 1.160 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 5.380 -0.082 1.837 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.201 -0.841 -2.026 0.00 0.00 +0.013 A ATOM 32 N LIG 1 4.348 0.627 1.386 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.481 -3.054 -0.430 0.00 0.00 +0.244 C ATOM 34 O LIG 1 7.957 -3.957 -1.110 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 8.013 -2.772 0.793 0.00 0.00 -0.325 N ATOM 36 H LIG 1 7.559 -2.105 1.410 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.737 -3.375 1.154 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 6