REMARK Name = BDB012487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.852 3.217 1.636 0.00 0.00 +0.123 A ATOM 2 C LIG 1 1.190 2.539 0.450 0.00 0.00 -0.003 A ATOM 3 C LIG 1 2.629 2.240 0.085 0.00 0.00 +0.060 C ATOM 4 C LIG 1 3.114 0.879 0.615 0.00 0.00 +0.130 C ATOM 5 N LIG 1 2.464 -0.262 -0.013 0.00 0.00 -0.311 N ATOM 6 C LIG 1 2.626 -0.614 -1.339 0.00 0.00 +0.070 A ATOM 7 C LIG 1 1.683 -1.615 -1.540 0.00 0.00 +0.091 A ATOM 8 C LIG 1 1.531 -2.183 -2.812 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.349 -1.730 -3.853 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.300 -0.733 -3.629 0.00 0.00 +0.002 A ATOM 11 N LIG 1 1.021 -1.898 -0.379 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 3.459 -0.151 -2.366 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.536 -1.123 0.548 0.00 0.00 +0.203 A ATOM 14 N LIG 1 1.253 -1.163 1.893 0.00 0.00 -0.252 N ATOM 15 H LIG 1 1.845 -0.674 2.546 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 0.336 -1.996 2.498 0.00 0.00 +0.250 C ATOM 17 C LIG 1 -0.753 -2.621 1.724 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -1.887 -1.855 1.444 0.00 0.00 +0.018 A ATOM 19 C LIG 1 -2.933 -2.378 0.664 0.00 0.00 -0.025 A ATOM 20 C LIG 1 -4.109 -1.497 0.273 0.00 0.00 +0.182 C ATOM 21 N LIG 1 -3.690 -0.389 -0.590 0.00 0.00 -0.225 N ATOM 22 C LIG 1 -3.725 -0.553 -1.969 0.00 0.00 +0.268 A ATOM 23 O LIG 1 -4.310 -1.456 -2.562 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -2.986 0.459 -2.759 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -2.216 1.372 -2.165 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -2.191 1.340 -0.692 0.00 0.00 +0.092 A ATOM 27 C LIG 1 -1.171 2.160 0.002 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -1.503 2.832 1.178 0.00 0.00 +0.013 A ATOM 29 N LIG 1 -2.944 0.586 0.039 0.00 0.00 -0.168 NA ATOM 30 C LIG 1 -2.836 -3.705 0.223 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -1.722 -4.488 0.556 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -0.677 -3.949 1.311 0.00 0.00 +0.013 A ATOM 33 O LIG 1 0.356 -2.152 3.719 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 0.168 2.037 -0.375 0.00 0.00 +0.017 A ATOM 35 C LIG 1 -0.496 3.379 1.979 0.00 0.00 +0.046 A ENDROOT BRANCH 1 37 ATOM 36 C LIG 1 1.606 4.352 3.595 0.00 0.00 +0.277 C ATOM 37 O LIG 1 1.908 3.644 2.398 0.00 0.00 -0.495 OA ENDBRANCH 1 37 TORSDOF 1