REMARK Name = BDB060887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.814 2.211 0.845 0.00 0.00 +0.085 A ATOM 2 C LIG 1 -6.006 1.059 -0.086 0.00 0.00 +0.264 A ATOM 3 O LIG 1 -7.139 0.823 -0.506 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -4.894 0.304 -0.430 0.00 0.00 -0.289 N ATOM 5 C LIG 1 -3.604 0.604 0.090 0.00 0.00 +0.149 A ATOM 6 C LIG 1 -3.458 1.674 0.956 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -2.157 1.883 1.373 0.00 0.00 +0.126 A ATOM 8 N LIG 1 -1.104 1.125 1.009 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.341 0.104 0.183 0.00 0.00 +0.222 A ATOM 10 N LIG 1 -2.565 -0.172 -0.284 0.00 0.00 -0.196 NA ATOM 11 C LIG 1 -4.606 2.502 1.372 0.00 0.00 -0.023 A ATOM 12 C LIG 1 -4.349 3.602 2.372 0.00 0.00 +0.045 C ENDROOT BRANCH 4 13 ATOM 13 C LIG 1 -5.076 -0.834 -1.343 0.00 0.00 +0.092 C ATOM 14 C LIG 1 -4.840 -2.213 -0.708 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -4.451 -3.088 -1.891 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -3.580 -2.173 -2.737 0.00 0.00 +0.002 C ATOM 17 C LIG 1 -4.247 -0.802 -2.642 0.00 0.00 +0.025 C ENDBRANCH 4 13 BRANCH 1 19 ATOM 18 C LIG 1 -8.239 2.357 1.700 0.00 0.00 +0.092 C ATOM 19 C LIG 1 -7.003 3.050 1.188 0.00 0.00 +0.166 C ATOM 20 O LIG 1 -6.962 4.274 1.062 0.00 0.00 -0.292 OA ENDBRANCH 1 19 BRANCH 9 21 ATOM 21 N LIG 1 -0.334 -0.738 -0.246 0.00 0.00 -0.268 N ATOM 22 H LIG 1 -0.670 -1.461 -0.862 0.00 0.00 +0.156 HD BRANCH 21 23 ATOM 23 C LIG 1 1.026 -0.825 -0.024 0.00 0.00 +0.125 A ATOM 24 N LIG 1 1.640 -1.840 -0.663 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 2.981 -1.985 -0.488 0.00 0.00 +0.136 A ATOM 26 C LIG 1 3.806 -1.168 0.290 0.00 0.00 +0.048 A ATOM 27 C LIG 1 3.132 -0.135 0.938 0.00 0.00 +0.028 A ATOM 28 C LIG 1 1.749 0.040 0.782 0.00 0.00 +0.045 A BRANCH 26 29 ATOM 29 N LIG 1 5.178 -1.397 0.398 0.00 0.00 -0.326 N ATOM 30 C LIG 1 5.980 -0.749 1.453 0.00 0.00 +0.124 C ATOM 31 C LIG 1 6.845 0.383 0.878 0.00 0.00 +0.126 C ATOM 32 N LIG 1 7.729 -0.073 -0.204 0.00 0.00 -0.298 N ATOM 33 C LIG 1 8.840 0.702 -0.507 0.00 0.00 +0.230 C ATOM 34 O LIG 1 9.039 1.783 0.056 0.00 0.00 -0.274 OA ATOM 35 C LIG 1 7.399 -1.377 -0.799 0.00 0.00 +0.126 C ATOM 36 C LIG 1 5.877 -1.620 -0.892 0.00 0.00 +0.124 C BRANCH 33 37 ATOM 37 C LIG 1 9.808 0.220 -1.571 0.00 0.00 +0.204 C ATOM 38 CL LIG 1 10.760 -1.144 -0.953 0.00 0.00 -0.116 Cl ENDBRANCH 33 37 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 9 21 TORSDOF 6