REMARK Name = BDB026710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.562 -1.309 0.924 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -5.438 -0.962 0.569 0.00 0.00 +0.218 C ATOM 3 N LIG 1 -4.476 -0.645 1.492 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -4.746 -0.759 2.461 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -3.197 -0.187 1.166 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.903 0.154 -0.160 0.00 0.00 -0.025 A ATOM 7 C LIG 1 -1.627 0.632 -0.480 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.657 0.736 0.522 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -0.963 0.418 1.850 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -3.999 0.117 -1.188 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -2.239 -0.045 2.172 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.005 -0.980 -0.878 0.00 0.00 +0.101 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.682 1.252 0.170 0.00 0.00 +0.251 C ATOM 14 N LIG 1 1.734 0.354 0.225 0.00 0.00 -0.267 N ATOM 15 C LIG 1 3.083 0.663 -0.028 0.00 0.00 +0.040 A ATOM 16 C LIG 1 3.862 -0.494 0.021 0.00 0.00 -0.024 A ATOM 17 C LIG 1 5.232 -0.450 -0.191 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.823 0.787 -0.452 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.042 1.951 -0.503 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.025 -1.704 0.278 0.00 0.00 +0.056 C ATOM 21 C LIG 1 3.661 1.894 -0.291 0.00 0.00 +0.024 A ATOM 22 C LIG 1 1.637 -1.091 0.509 0.00 0.00 +0.118 C ATOM 23 O LIG 1 0.741 2.432 -0.165 0.00 0.00 -0.270 OA ENDBRANCH 8 13 TORSDOF 1