REMARK Name = BDB034812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.327 -2.305 0.056 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -2.037 -2.953 -0.270 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -2.861 4.171 0.233 0.00 0.00 +0.154 C ATOM 4 N LIG 1 -3.403 2.861 0.025 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -2.676 1.667 0.078 0.00 0.00 +0.070 A ATOM 6 C LIG 1 -3.547 0.617 -0.207 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -3.118 -0.696 -0.225 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.759 -0.960 0.028 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -0.898 0.120 0.337 0.00 0.00 +0.025 A ATOM 10 N LIG 1 -4.823 1.163 -0.424 0.00 0.00 -0.292 N ATOM 11 C LIG 1 -1.346 1.448 0.355 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -4.742 2.570 -0.308 0.00 0.00 +0.330 A ATOM 13 O LIG 1 -5.650 3.371 -0.468 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 -5.995 0.439 -0.845 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -7.163 0.469 0.148 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -7.013 -0.393 1.417 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -6.023 0.190 2.426 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -8.386 -0.539 2.090 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -6.572 -1.701 1.041 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -6.494 -2.229 1.856 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 -0.035 -2.846 -0.184 0.00 0.00 +0.147 A ATOM 22 C LIG 1 0.184 -4.193 0.064 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 -1.044 -5.269 0.602 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 1.459 -4.646 -0.159 0.00 0.00 +0.137 A ATOM 25 N LIG 1 2.463 -3.861 -0.594 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 2.192 -2.565 -0.818 0.00 0.00 +0.220 A ATOM 27 N LIG 1 0.966 -2.050 -0.616 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 3.207 -1.738 -1.315 0.00 0.00 -0.299 N ATOM 29 C LIG 1 4.554 -2.188 -0.958 0.00 0.00 +0.109 C ATOM 30 C LIG 1 5.603 -1.348 -1.687 0.00 0.00 +0.038 C ATOM 31 C LIG 1 5.436 0.166 -1.431 0.00 0.00 +0.060 C ATOM 32 C LIG 1 3.998 0.518 -1.873 0.00 0.00 +0.038 C ATOM 33 C LIG 1 2.947 -0.308 -1.132 0.00 0.00 +0.109 C BRANCH 31 34 ATOM 34 N LIG 1 5.712 0.593 -0.037 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 6.951 0.012 0.527 0.00 0.00 +0.113 C ATOM 36 C LIG 1 7.426 0.772 1.776 0.00 0.00 +0.175 C ATOM 37 O LIG 1 7.806 2.124 1.492 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 7.131 2.663 0.350 0.00 0.00 +0.175 C ATOM 39 C LIG 1 5.728 2.068 0.136 0.00 0.00 +0.113 C ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 8