REMARK Name = BDB034809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.646 -2.333 0.843 0.00 0.00 -0.298 N ATOM 2 H LIG 1 2.124 -2.534 1.716 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 2.926 3.443 -2.203 0.00 0.00 +0.154 C ATOM 4 N LIG 1 3.345 2.585 -1.133 0.00 0.00 -0.295 N ATOM 5 C LIG 1 2.770 1.351 -0.813 0.00 0.00 +0.070 A ATOM 6 C LIG 1 3.421 0.848 0.312 0.00 0.00 +0.072 A ATOM 7 C LIG 1 3.055 -0.360 0.877 0.00 0.00 +0.051 A ATOM 8 C LIG 1 1.992 -1.077 0.296 0.00 0.00 +0.034 A ATOM 9 C LIG 1 1.369 -0.560 -0.864 0.00 0.00 +0.025 A ATOM 10 N LIG 1 4.422 1.764 0.676 0.00 0.00 -0.292 N ATOM 11 C LIG 1 1.744 0.668 -1.425 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.356 2.879 -0.197 0.00 0.00 +0.330 A ATOM 13 O LIG 1 5.031 3.894 -0.139 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 5.271 1.694 1.837 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 6.774 1.678 1.537 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 7.373 0.392 0.930 0.00 0.00 +0.062 C ATOM 17 C LIG 1 7.100 -0.848 1.783 0.00 0.00 +0.041 C ATOM 18 C LIG 1 6.941 0.150 -0.515 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 8.800 0.568 0.887 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 9.117 0.730 1.791 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 0.405 -3.025 0.805 0.00 0.00 +0.147 A ATOM 22 C LIG 1 0.350 -4.330 1.271 0.00 0.00 +0.099 A ATOM 23 CL LIG 1 1.701 -5.152 1.947 0.00 0.00 -0.078 Cl ATOM 24 C LIG 1 -0.870 -4.951 1.181 0.00 0.00 +0.137 A ATOM 25 N LIG 1 -1.971 -4.360 0.679 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 -1.856 -3.094 0.246 0.00 0.00 +0.220 A ATOM 27 N LIG 1 -0.692 -2.425 0.295 0.00 0.00 -0.198 NA BRANCH 26 28 ATOM 28 N LIG 1 -2.988 -2.451 -0.236 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -2.799 -1.185 -0.932 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -4.095 -0.337 -0.875 0.00 0.00 +0.020 C ATOM 31 C LIG 1 -5.362 -1.212 -0.883 0.00 0.00 +0.008 C ATOM 32 C LIG 1 -5.098 -2.571 -1.519 0.00 0.00 +0.019 C ATOM 33 C LIG 1 -4.043 -3.341 -0.721 0.00 0.00 +0.108 C BRANCH 30 34 ATOM 34 C LIG 1 -4.040 0.638 0.326 0.00 0.00 +0.089 C BRANCH 34 35 ATOM 35 N LIG 1 -5.098 1.636 0.469 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -5.417 2.439 -0.710 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -6.542 3.433 -0.381 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -7.774 2.802 -0.002 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -7.603 1.470 0.498 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -6.278 1.253 1.249 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 1 21 TORSDOF 9