REMARK Name = BDB034813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.738 -2.644 0.875 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.474 -3.247 0.521 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -2.283 3.654 2.377 0.00 0.00 +0.154 C ATOM 4 N LIG 1 -2.832 2.403 1.942 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -2.098 1.233 1.719 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -2.989 0.227 1.349 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -2.558 -1.054 1.062 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.179 -1.327 1.135 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.297 -0.298 1.542 0.00 0.00 +0.025 A ATOM 10 N LIG 1 -4.280 0.781 1.332 0.00 0.00 -0.292 N ATOM 11 C LIG 1 -0.747 0.998 1.829 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -4.200 2.136 1.728 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -5.130 2.916 1.862 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.508 0.064 1.102 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -6.305 0.526 -0.123 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -5.747 0.123 -1.502 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -4.491 0.904 -1.895 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -6.830 0.350 -2.567 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -5.435 -1.273 -1.489 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -5.103 -1.507 -2.373 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 0.527 -3.096 0.414 0.00 0.00 +0.147 A ATOM 22 C LIG 1 0.787 -4.458 0.384 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 -0.369 -5.653 0.824 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 2.040 -4.823 -0.041 0.00 0.00 +0.137 A ATOM 25 N LIG 1 2.988 -3.942 -0.414 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 2.676 -2.637 -0.359 0.00 0.00 +0.220 A ATOM 27 N LIG 1 1.470 -2.205 0.043 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 3.620 -1.709 -0.753 0.00 0.00 -0.299 N ATOM 29 C LIG 1 5.018 -2.115 -0.796 0.00 0.00 +0.110 C ATOM 30 C LIG 1 5.921 -0.997 -0.288 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.699 0.308 -1.065 0.00 0.00 +0.110 C ATOM 32 C LIG 1 4.245 0.510 -1.514 0.00 0.00 +0.046 C ATOM 33 C LIG 1 3.279 -0.295 -0.651 0.00 0.00 +0.110 C BRANCH 31 34 ATOM 34 N LIG 1 6.197 1.449 -0.300 0.00 0.00 -0.268 N ATOM 35 N LIG 1 5.520 1.893 0.778 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 6.256 2.917 1.216 0.00 0.00 +0.134 A ATOM 37 C LIG 1 7.397 3.133 0.424 0.00 0.00 +0.041 A ATOM 38 C LIG 1 7.333 2.167 -0.552 0.00 0.00 +0.108 A ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 8