REMARK Name = BDB015230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.430 -0.596 -1.071 0.00 0.00 +0.119 A ATOM 2 N LIG 1 -0.260 -1.909 -0.820 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -1.362 -2.679 -0.704 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -2.655 -2.201 -0.824 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.843 -0.845 -1.091 0.00 0.00 -0.013 A ATOM 6 C LIG 1 -1.701 -0.044 -1.220 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.193 -0.277 -1.243 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -5.147 -0.427 -0.215 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -6.416 0.140 -0.404 0.00 0.00 +0.070 A ATOM 10 C LIG 1 -6.770 0.819 -1.567 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -8.077 1.241 -1.518 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -8.529 0.829 -0.355 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.824 0.970 -2.588 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -7.552 0.208 0.366 0.00 0.00 -0.323 N ATOM 15 C LIG 1 -4.545 0.422 -2.411 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -7.720 -0.421 1.681 0.00 0.00 +0.140 C ATOM 17 C LIG 1 -8.763 0.231 2.599 0.00 0.00 +0.187 C ATOM 18 O LIG 1 -7.803 0.285 3.687 0.00 0.00 -0.376 OA ATOM 19 C LIG 1 -6.725 0.084 2.735 0.00 0.00 +0.187 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 20 ATOM 20 N LIG 1 0.677 0.248 -1.244 0.00 0.00 -0.327 N ATOM 21 H LIG 1 0.573 1.076 -0.659 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 1.996 -0.355 -0.998 0.00 0.00 +0.135 C BRANCH 22 23 ATOM 23 C LIG 1 2.277 -0.481 0.512 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 2.213 0.817 1.134 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 2.296 0.672 2.092 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 3.623 -1.186 0.810 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 4.821 -0.675 0.112 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 5.127 0.723 0.481 0.00 0.00 +0.120 C ATOM 29 C LIG 1 6.474 1.218 -0.009 0.00 0.00 -0.030 A ATOM 30 C LIG 1 7.472 0.323 -0.428 0.00 0.00 -0.042 A ATOM 31 C LIG 1 8.714 0.812 -0.856 0.00 0.00 +0.004 A ATOM 32 C LIG 1 8.974 2.182 -0.843 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.995 3.072 -0.410 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.179 -1.152 -0.476 0.00 0.00 +0.051 C ATOM 35 C LIG 1 6.752 2.594 0.006 0.00 0.00 +0.005 A ATOM 36 C LIG 1 5.982 -1.533 0.403 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8