REMARK Name = BDB034792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.446 0.620 -2.199 0.00 0.00 -0.298 N ATOM 2 H LIG 1 1.074 1.397 -2.378 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.055 -0.445 -1.501 0.00 0.00 +0.034 A ATOM 4 C LIG 1 2.443 -0.396 -1.272 0.00 0.00 +0.051 A ATOM 5 C LIG 1 3.037 -1.459 -0.621 0.00 0.00 +0.072 A ATOM 6 N LIG 1 4.374 -1.668 -0.253 0.00 0.00 -0.292 N ATOM 7 C LIG 1 4.474 -2.901 0.432 0.00 0.00 +0.330 A ATOM 8 N LIG 1 3.178 -3.456 0.431 0.00 0.00 -0.295 N ATOM 9 C LIG 1 2.804 -4.705 1.028 0.00 0.00 +0.154 C ATOM 10 O LIG 1 5.480 -3.376 0.937 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 2.302 -2.569 -0.205 0.00 0.00 +0.070 A ATOM 12 C LIG 1 0.949 -2.665 -0.431 0.00 0.00 +0.030 A ATOM 13 C LIG 1 0.333 -1.593 -1.093 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 5.460 -0.733 -0.420 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.590 0.191 0.795 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 6.761 1.186 0.705 0.00 0.00 +0.062 C ATOM 17 C LIG 1 6.588 2.179 -0.446 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.902 1.950 2.025 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 7.978 0.475 0.474 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 8.101 -0.162 1.201 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 -3.041 0.979 -1.240 0.00 0.00 +0.220 A ATOM 22 N LIG 1 -1.764 0.558 -1.261 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 -0.898 1.078 -2.158 0.00 0.00 +0.147 A ATOM 24 C LIG 1 -1.310 2.038 -3.070 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 -0.260 2.756 -4.227 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 -2.626 2.414 -2.993 0.00 0.00 +0.137 A ATOM 27 N LIG 1 -3.495 1.906 -2.098 0.00 0.00 -0.221 NA BRANCH 21 30 ATOM 28 C LIG 1 -6.133 0.461 0.802 0.00 0.00 +0.032 C ATOM 29 C LIG 1 -5.118 1.234 -0.058 0.00 0.00 +0.113 C ATOM 30 N LIG 1 -3.928 0.409 -0.316 0.00 0.00 -0.299 N ATOM 31 C LIG 1 -3.260 -0.154 0.859 0.00 0.00 +0.108 C ATOM 32 C LIG 1 -4.258 -0.939 1.708 0.00 0.00 +0.019 C ATOM 33 C LIG 1 -5.470 -0.090 2.069 0.00 0.00 +0.009 C BRANCH 28 34 ATOM 34 C LIG 1 -7.332 1.345 1.174 0.00 0.00 +0.164 C BRANCH 34 36 ATOM 35 C LIG 1 -8.793 1.011 -0.676 0.00 0.00 +0.193 C ATOM 36 O LIG 1 -7.971 1.925 0.039 0.00 0.00 -0.383 OA ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 21 30 ENDBRANCH 1 23 TORSDOF 9