REMARK Name = BDB007184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.196 -2.257 0.236 0.00 0.00 +0.163 A ATOM 2 C LIG 1 1.287 -1.420 -0.029 0.00 0.00 +0.163 A ATOM 3 C LIG 1 1.064 -0.046 -0.127 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -0.218 0.486 0.089 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.483 1.951 -0.041 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.565 2.464 0.898 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -2.681 1.629 1.119 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -2.685 0.253 0.549 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -1.402 3.596 1.361 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.295 -0.348 0.386 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -1.074 -1.730 0.475 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -3.508 0.132 -0.742 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -4.143 -1.087 -1.046 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -4.883 -1.242 -2.221 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.000 -0.178 -3.109 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.914 -0.366 -4.554 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.387 1.040 -2.830 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.643 1.193 -1.656 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -3.887 2.097 1.804 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -4.038 3.415 2.265 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -5.214 3.860 2.893 0.00 0.00 +0.047 A ATOM 22 C LIG 1 -6.291 3.005 3.086 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -6.179 1.696 2.638 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -4.998 1.255 2.008 0.00 0.00 +0.027 A BRANCH 22 25 ATOM 25 O LIG 1 -7.374 3.565 3.702 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 -8.482 2.711 3.955 0.00 0.00 +0.277 C ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 1 27 ATOM 27 O LIG 1 0.339 -3.621 0.322 0.00 0.00 -0.485 OA BRANCH 27 28 ATOM 28 C LIG 1 0.374 -4.225 -0.986 0.00 0.00 +0.170 C ATOM 29 C LIG 1 -0.911 -5.040 -1.160 0.00 0.00 +0.052 C BRANCH 28 31 ATOM 30 C LIG 1 1.810 -6.138 -0.004 0.00 0.00 +0.007 C ATOM 31 C LIG 1 1.632 -5.106 -1.113 0.00 0.00 +0.041 C ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 1 27 BRANCH 2 32 ATOM 32 O LIG 1 2.499 -2.027 -0.210 0.00 0.00 -0.479 OA BRANCH 32 33 ATOM 33 C LIG 1 3.663 -1.255 0.046 0.00 0.00 +0.324 C BRANCH 33 34 ATOM 34 C LIG 1 4.222 -0.508 -1.177 0.00 0.00 +0.253 C ATOM 35 N LIG 1 5.290 0.351 -0.947 0.00 0.00 -0.296 N ATOM 36 C LIG 1 5.971 0.496 0.345 0.00 0.00 +0.123 C ATOM 37 C LIG 1 7.242 1.366 0.268 0.00 0.00 +0.103 C ATOM 38 N LIG 1 6.959 2.666 -0.355 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 8.158 3.495 -0.433 0.00 0.00 +0.105 C ATOM 40 C LIG 1 6.302 2.523 -1.674 0.00 0.00 +0.103 C ATOM 41 C LIG 1 5.870 1.092 -2.064 0.00 0.00 +0.123 C ATOM 42 O LIG 1 3.739 -0.655 -2.302 0.00 0.00 -0.272 OA ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 9