REMARK Name = BDB010665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.087 2.166 -0.202 0.00 0.00 +0.106 A ATOM 2 C LIG 1 -0.914 1.773 0.430 0.00 0.00 +0.116 A ATOM 3 C LIG 1 -0.528 2.425 1.591 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.665 1.961 2.055 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.048 1.047 1.196 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.224 3.413 2.172 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.340 3.730 1.505 0.00 0.00 +0.220 A ATOM 8 N LIG 1 0.074 0.831 0.237 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -2.787 3.181 0.354 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -3.600 0.675 -1.522 0.00 0.00 +0.224 A ATOM 11 C LIG 1 -2.591 1.644 -1.460 0.00 0.00 +0.065 A ATOM 12 C LIG 1 -2.095 2.128 -2.681 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -2.587 1.622 -3.879 0.00 0.00 +0.060 A ATOM 14 CL LIG 1 -1.980 2.189 -5.380 0.00 0.00 -0.082 Cl ATOM 15 C LIG 1 -3.567 0.645 -3.830 0.00 0.00 +0.134 A ATOM 16 N LIG 1 -4.080 0.154 -2.678 0.00 0.00 -0.219 NA BRANCH 10 18 ATOM 17 C LIG 1 -5.175 -0.718 -0.477 0.00 0.00 +0.279 C ATOM 18 O LIG 1 -4.095 0.197 -0.323 0.00 0.00 -0.479 OA ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 7 19 ATOM 19 C LIG 1 -3.160 4.814 2.083 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -4.284 5.137 1.389 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 -4.844 6.138 2.116 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -5.876 6.725 1.848 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -4.020 6.344 3.187 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -4.165 7.027 3.918 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -2.952 5.505 3.167 0.00 0.00 -0.127 NA ENDBRANCH 7 19 BRANCH 5 26 ATOM 26 N LIG 1 2.222 0.352 1.207 0.00 0.00 -0.289 N ATOM 27 C LIG 1 3.284 0.906 0.297 0.00 0.00 +0.132 C ATOM 28 C LIG 1 4.035 2.069 1.014 0.00 0.00 +0.187 C ATOM 29 O LIG 1 4.595 1.672 2.275 0.00 0.00 -0.376 OA ATOM 30 C LIG 1 3.545 1.253 3.159 0.00 0.00 +0.179 C ATOM 31 C LIG 1 2.761 0.072 2.571 0.00 0.00 +0.136 C BRANCH 27 32 ATOM 32 C LIG 1 4.193 -0.193 -0.275 0.00 0.00 -0.025 A ATOM 33 C LIG 1 5.363 0.142 -0.981 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.176 -0.842 -1.553 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.830 -2.184 -1.447 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.666 -2.542 -0.776 0.00 0.00 +0.000 A ATOM 37 C LIG 1 3.855 -1.557 -0.205 0.00 0.00 +0.005 A ENDBRANCH 27 32 ENDBRANCH 5 26 BRANCH 8 38 ATOM 38 C LIG 1 0.083 -0.236 -0.748 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.803 -1.442 -0.375 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -0.306 -2.156 0.897 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.761 -3.610 0.935 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.148 -4.415 -0.225 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -0.995 -5.655 -0.509 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.049 -3.564 -1.493 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.942 -2.407 -1.570 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 7