REMARK Name = BDB037986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.883 0.620 -3.380 0.00 0.00 +0.147 A ATOM 2 C LIG 1 2.798 1.179 -4.646 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 4.157 1.787 -5.504 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 1.541 1.242 -5.194 0.00 0.00 +0.137 A ATOM 5 N LIG 1 0.433 0.798 -4.570 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 0.581 0.261 -3.349 0.00 0.00 +0.220 A ATOM 7 N LIG 1 1.779 0.166 -2.749 0.00 0.00 -0.198 NA ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -0.535 -0.206 -2.686 0.00 0.00 -0.298 N ATOM 9 C LIG 1 -1.828 -0.173 -3.367 0.00 0.00 +0.127 C ATOM 10 C LIG 1 -2.592 1.134 -3.071 0.00 0.00 +0.124 C ATOM 11 N LIG 1 -3.252 1.113 -1.744 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -2.312 1.053 -0.606 0.00 0.00 +0.106 C ATOM 13 C LIG 1 -1.705 -0.345 -0.459 0.00 0.00 +0.038 C ATOM 14 C LIG 1 -0.417 -0.516 -1.266 0.00 0.00 +0.109 C BRANCH 11 15 ATOM 15 C LIG 1 -4.543 0.596 -1.591 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -5.248 0.761 -0.382 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -6.528 0.246 -0.266 0.00 0.00 +0.051 A ATOM 18 C LIG 1 -7.454 0.265 0.864 0.00 0.00 +0.255 C ATOM 19 N LIG 1 -8.600 -0.354 0.442 0.00 0.00 -0.222 N ATOM 20 C LIG 1 -8.470 -0.828 -0.835 0.00 0.00 +0.254 C ATOM 21 O LIG 1 -9.265 -1.463 -1.500 0.00 0.00 -0.270 OA ATOM 22 O LIG 1 -7.192 0.731 1.956 0.00 0.00 -0.270 OA ATOM 23 C LIG 1 -7.147 -0.419 -1.299 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -6.521 -0.601 -2.509 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -5.223 -0.082 -2.643 0.00 0.00 +0.024 A BRANCH 19 26 ATOM 26 C LIG 1 -9.730 -0.690 1.294 0.00 0.00 +0.171 C ATOM 27 C LIG 1 -9.342 -1.853 2.213 0.00 0.00 +0.240 C ATOM 28 O LIG 1 -8.436 -2.648 1.967 0.00 0.00 -0.273 OA ATOM 29 N LIG 1 -10.125 -2.013 3.334 0.00 0.00 -0.255 N ATOM 30 H LIG 1 -9.879 -2.787 3.937 0.00 0.00 +0.158 HD ATOM 31 C LIG 1 -11.099 -1.170 3.809 0.00 0.00 +0.219 C ATOM 32 O LIG 1 -11.678 -1.404 4.866 0.00 0.00 -0.275 OA ATOM 33 C LIG 1 -11.459 0.010 2.935 0.00 0.00 +0.098 C ATOM 34 C LIG 1 -10.263 0.478 2.120 0.00 0.00 +0.041 C ENDBRANCH 19 26 ENDBRANCH 11 15 ENDBRANCH 6 8 BRANCH 1 35 ATOM 35 N LIG 1 4.157 0.499 -2.766 0.00 0.00 -0.298 N ATOM 36 H LIG 1 4.719 1.321 -2.966 0.00 0.00 +0.154 HD BRANCH 35 45 ATOM 37 C LIG 1 7.896 -0.622 1.954 0.00 0.00 +0.186 A ATOM 38 C LIG 1 7.104 -1.756 2.568 0.00 0.00 +0.293 A ATOM 39 O LIG 1 7.525 -2.304 3.587 0.00 0.00 -0.264 OA ATOM 40 N LIG 1 5.917 -2.136 1.943 0.00 0.00 -0.308 N ATOM 41 C LIG 1 5.154 -3.229 2.528 0.00 0.00 +0.152 C ATOM 42 C LIG 1 5.440 -1.494 0.765 0.00 0.00 +0.052 A ATOM 43 C LIG 1 6.181 -0.444 0.214 0.00 0.00 +0.004 A ATOM 44 C LIG 1 5.732 0.207 -0.948 0.00 0.00 +0.033 A ATOM 45 C LIG 1 4.532 -0.157 -1.577 0.00 0.00 +0.033 A ATOM 46 C LIG 1 3.818 -1.226 -1.034 0.00 0.00 +0.025 A ATOM 47 C LIG 1 4.257 -1.880 0.126 0.00 0.00 +0.028 A ATOM 48 C LIG 1 7.430 -0.023 0.845 0.00 0.00 +0.061 A BRANCH 37 49 ATOM 49 O LIG 1 9.068 -0.292 2.613 0.00 0.00 -0.477 OA BRANCH 49 50 ATOM 50 C LIG 1 9.862 0.764 2.102 0.00 0.00 +0.324 C BRANCH 50 54 ATOM 51 C LIG 1 13.180 2.344 3.062 0.00 0.00 +0.128 C ATOM 52 N LIG 1 11.911 2.038 2.450 0.00 0.00 -0.316 N ATOM 53 H LIG 1 11.730 2.400 1.524 0.00 0.00 +0.148 HD ATOM 54 C LIG 1 11.125 1.004 2.937 0.00 0.00 +0.250 C ATOM 55 O LIG 1 11.425 0.362 3.938 0.00 0.00 -0.272 OA ENDBRANCH 50 54 ENDBRANCH 49 50 ENDBRANCH 37 49 ENDBRANCH 35 45 ENDBRANCH 1 35 TORSDOF 8