REMARK Name = BDB025344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.685 -0.664 -0.145 0.00 0.00 +0.256 C ATOM 2 N LIG 1 -1.283 -0.574 -0.340 0.00 0.00 -0.185 N ATOM 3 C LIG 1 -0.450 0.456 -0.831 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.844 0.086 -0.526 0.00 0.00 +0.033 A ATOM 5 C LIG 1 2.140 0.780 -0.743 0.00 0.00 +0.151 C ATOM 6 N LIG 1 3.250 0.004 -0.182 0.00 0.00 -0.263 N ATOM 7 C LIG 1 3.172 -1.470 -0.240 0.00 0.00 +0.117 C ATOM 8 C LIG 1 1.902 -2.018 0.425 0.00 0.00 +0.077 C ATOM 9 C LIG 1 4.453 0.672 -0.030 0.00 0.00 +0.403 C ATOM 10 O LIG 1 4.587 1.879 -0.203 0.00 0.00 -0.226 OA ATOM 11 C LIG 1 0.734 -1.213 -0.005 0.00 0.00 +0.072 A ATOM 12 N LIG 1 -0.518 -1.651 0.043 0.00 0.00 -0.167 NA ATOM 13 O LIG 1 -3.188 -1.765 0.071 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 21 ATOM 14 C LIG 1 -7.019 -0.096 -0.958 0.00 0.00 +0.016 A ATOM 15 N LIG 1 -7.114 0.823 0.061 0.00 0.00 -0.361 N ATOM 16 H LIG 1 -7.979 1.172 0.454 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 -5.857 1.185 0.458 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.557 2.159 1.539 0.00 0.00 +0.053 C ATOM 19 C LIG 1 -4.089 2.602 1.433 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -3.139 1.413 1.193 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -3.442 0.656 -0.130 0.00 0.00 +0.111 C ATOM 22 C LIG 1 -4.936 0.477 -0.288 0.00 0.00 -0.014 A ATOM 23 C LIG 1 -5.676 -0.324 -1.194 0.00 0.00 +0.027 A BRANCH 14 25 ATOM 24 C LIG 1 -8.701 0.163 -2.777 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -8.228 -0.683 -1.605 0.00 0.00 +0.050 C ENDBRANCH 14 25 ENDBRANCH 1 21 BRANCH 3 26 ATOM 26 N LIG 1 -0.864 1.574 -1.485 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -0.145 2.200 -1.852 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -1.596 1.483 -2.192 0.00 0.00 +0.144 HD ENDBRANCH 3 26 BRANCH 9 29 ATOM 29 O LIG 1 5.468 -0.151 0.333 0.00 0.00 -0.445 OA BRANCH 29 30 ATOM 30 C LIG 1 6.722 0.510 0.513 0.00 0.00 +0.269 C BRANCH 30 31 ATOM 31 C LIG 1 7.740 -0.531 0.900 0.00 0.00 -0.010 A ATOM 32 C LIG 1 7.793 -1.014 2.216 0.00 0.00 +0.007 A ATOM 33 C LIG 1 8.724 -1.990 2.576 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.605 -2.497 1.623 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.555 -2.033 0.310 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.624 -1.058 -0.052 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 9 29 TORSDOF 6