REMARK Name = BDB008264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.609 -0.189 -1.209 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.360 -0.640 -1.002 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.445 0.037 -0.161 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.039 1.194 0.485 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.247 1.687 0.249 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -2.083 0.973 -0.617 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.706 2.935 0.889 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -2.324 2.910 2.183 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.745 4.118 2.784 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -3.324 4.180 3.996 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -3.509 3.027 4.673 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -3.144 1.789 4.188 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.559 5.307 2.101 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.966 5.347 0.841 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.551 1.732 2.932 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.526 4.173 0.223 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -0.883 4.264 -1.135 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -2.297 -2.139 -2.591 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.499 -0.891 -2.026 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -3.453 -0.555 -2.113 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -1.270 -2.807 -2.564 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.570 -2.611 -3.349 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.586 -4.137 -3.466 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.987 -2.211 -3.428 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.765 -2.068 -2.643 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.873 -2.589 -1.768 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 1.716 -0.514 -0.021 0.00 0.00 -0.265 N ATOM 28 H LIG 1 1.909 -1.272 -0.667 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.713 -0.167 0.862 0.00 0.00 +0.268 C ATOM 30 O LIG 1 2.632 0.654 1.768 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 3.986 -0.932 0.661 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.046 -1.733 -0.436 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 5.208 -2.402 -0.622 0.00 0.00 +0.120 A ATOM 34 C LIG 1 6.316 -2.329 0.230 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.208 -1.500 1.367 0.00 0.00 -0.014 A ATOM 36 C LIG 1 7.290 -1.416 2.260 0.00 0.00 +0.008 A ATOM 37 C LIG 1 8.468 -2.124 2.021 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.582 -2.929 0.885 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.510 -3.038 0.000 0.00 0.00 +0.010 A ATOM 40 C LIG 1 5.024 -0.786 1.574 0.00 0.00 +0.041 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6