REMARK Name = BDB028949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.900 -4.117 -2.379 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -0.657 -3.146 -1.335 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -1.616 -2.142 -1.147 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -2.635 -2.041 -1.824 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -1.278 -1.230 -0.074 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -1.920 -0.102 0.506 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -1.095 0.335 1.531 0.00 0.00 +0.097 A ATOM 8 N LIG 1 0.006 -0.485 1.581 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.096 -1.438 0.606 0.00 0.00 +0.149 A ATOM 10 N LIG 1 0.830 -2.402 0.390 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 0.497 -3.217 -0.567 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.176 0.550 0.179 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -4.106 0.846 1.186 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -5.328 1.477 0.891 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -5.611 1.814 -0.439 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -4.679 1.520 -1.445 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -5.016 1.937 -3.088 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -3.471 0.895 -1.142 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -6.241 1.740 2.044 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -5.937 1.430 3.190 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -7.436 2.343 1.789 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -8.062 2.534 2.557 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -7.696 2.612 0.845 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -6.793 2.433 -0.777 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -6.780 2.563 -1.746 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 1.089 -0.384 2.541 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 2.263 0.395 1.986 0.00 0.00 +0.237 C ATOM 28 N LIG 1 3.010 -0.304 1.047 0.00 0.00 -0.283 N ATOM 29 H LIG 1 2.633 -1.212 0.768 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 2.504 1.530 2.389 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 4.159 0.099 0.383 0.00 0.00 +0.057 A ATOM 32 C LIG 1 4.744 -0.856 -0.584 0.00 0.00 +0.079 A ATOM 33 CL LIG 1 4.026 -2.406 -0.836 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 5.853 -0.531 -1.268 0.00 0.00 +0.114 A ATOM 35 N LIG 1 6.438 0.707 -1.050 0.00 0.00 -0.305 N ATOM 36 C LIG 1 5.943 1.641 -0.153 0.00 0.00 +0.139 A ATOM 37 N LIG 1 6.688 2.726 -0.137 0.00 0.00 -0.236 NA ATOM 38 C LIG 1 7.691 2.496 -1.043 0.00 0.00 +0.131 A ATOM 39 C LIG 1 7.558 1.255 -1.620 0.00 0.00 +0.112 A ATOM 40 C LIG 1 4.765 1.295 0.571 0.00 0.00 +0.071 A ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6