REMARK Name = BDB034790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.147 0.395 2.256 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.681 0.102 3.068 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -2.835 -0.467 -3.771 0.00 0.00 +0.154 C ATOM 4 N LIG 1 -3.103 -0.549 -2.365 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -2.191 -0.244 -1.349 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -2.815 -0.475 -0.124 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -2.153 -0.282 1.073 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -0.815 0.153 1.035 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.214 0.412 -0.220 0.00 0.00 +0.025 A ATOM 10 N LIG 1 -4.125 -0.909 -0.383 0.00 0.00 -0.292 N ATOM 11 C LIG 1 -0.893 0.205 -1.428 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -4.310 -0.987 -1.784 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -5.318 -1.352 -2.369 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.095 -1.319 0.599 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -5.688 -0.190 1.447 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -6.630 0.817 0.759 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -5.901 1.789 -0.169 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -7.794 0.139 0.034 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -7.191 1.604 1.827 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -7.805 2.248 1.433 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 1.243 0.349 2.549 0.00 0.00 +0.147 A ATOM 22 C LIG 1 1.682 0.797 3.786 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 0.626 1.363 5.019 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 3.037 0.754 3.994 0.00 0.00 +0.137 A ATOM 25 N LIG 1 3.918 0.308 3.078 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 3.433 -0.116 1.901 0.00 0.00 +0.220 A ATOM 27 N LIG 1 2.118 -0.096 1.622 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 4.316 -0.617 0.953 0.00 0.00 -0.293 N ATOM 29 C LIG 1 5.725 -0.196 1.065 0.00 0.00 +0.077 C ATOM 30 C LIG 1 6.592 -1.251 0.350 0.00 0.00 +0.026 C ATOM 31 C LIG 1 6.160 -1.374 -1.120 0.00 0.00 -0.007 C ATOM 32 C LIG 1 6.316 -0.011 -1.816 0.00 0.00 +0.007 C ATOM 33 C LIG 1 5.457 1.052 -1.108 0.00 0.00 -0.007 C ATOM 34 C LIG 1 3.980 0.618 -1.144 0.00 0.00 +0.026 C ATOM 35 C LIG 1 4.681 -1.796 -1.149 0.00 0.00 +0.026 C ATOM 36 C LIG 1 5.900 1.166 0.364 0.00 0.00 +0.026 C ATOM 37 C LIG 1 3.820 -0.739 -0.430 0.00 0.00 +0.077 C ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 7