REMARK Name = BDB043217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.932 2.106 0.117 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -1.646 2.235 0.458 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.808 1.236 0.168 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.194 0.095 -0.417 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.485 -0.057 -0.745 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.389 0.959 -0.503 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.889 -1.233 -1.376 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -4.162 -1.858 -0.974 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -3.987 -3.365 -0.671 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -3.430 -4.142 -1.799 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -2.915 -5.426 -1.331 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.397 -3.370 -2.528 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.813 -2.161 -1.762 0.00 0.00 +0.122 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -3.862 3.148 0.350 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -4.745 2.770 0.664 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -4.497 7.803 1.899 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -4.005 6.519 1.358 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -2.748 6.371 0.846 0.00 0.00 -0.280 N ATOM 19 H LIG 1 -2.016 7.068 0.765 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 -2.492 5.138 0.396 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -3.606 4.445 0.639 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -4.591 5.279 1.230 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 N LIG 1 0.514 1.471 0.540 0.00 0.00 -0.284 N ATOM 24 H LIG 1 0.567 2.413 0.902 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 1.713 0.775 0.381 0.00 0.00 +0.034 A ATOM 26 C LIG 1 2.889 1.333 0.895 0.00 0.00 +0.025 A ATOM 27 C LIG 1 4.119 0.669 0.790 0.00 0.00 +0.025 A ATOM 28 C LIG 1 4.231 -0.586 0.178 0.00 0.00 +0.030 A ATOM 29 C LIG 1 3.053 -1.135 -0.341 0.00 0.00 +0.025 A ATOM 30 C LIG 1 1.819 -0.472 -0.232 0.00 0.00 +0.025 A BRANCH 28 31 ATOM 31 N LIG 1 5.487 -1.205 0.087 0.00 0.00 -0.326 N ATOM 32 C LIG 1 5.634 -2.346 -0.841 0.00 0.00 +0.133 C ATOM 33 C LIG 1 7.115 -2.740 -0.953 0.00 0.00 +0.178 C ATOM 34 O LIG 1 7.668 -3.067 0.332 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 7.570 -1.934 1.209 0.00 0.00 +0.178 C ATOM 36 C LIG 1 6.111 -1.486 1.404 0.00 0.00 +0.133 C ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 6