REMARK Name = BDB041992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 0.374 2.068 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.678 0.313 0.132 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.418 -0.736 1.013 0.00 0.00 +0.251 C ATOM 4 O LIG 1 6.183 -1.613 1.364 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.023 -0.605 1.435 0.00 0.00 +0.077 A ATOM 6 C LIG 1 3.450 0.439 0.712 0.00 0.00 -0.015 A ATOM 7 C LIG 1 2.119 0.781 0.901 0.00 0.00 +0.011 A ATOM 8 C LIG 1 1.364 0.053 1.841 0.00 0.00 -0.030 A ATOM 9 C LIG 1 1.970 -1.004 2.563 0.00 0.00 +0.044 A ATOM 10 C LIG 1 3.307 -1.334 2.356 0.00 0.00 +0.136 A ATOM 11 F LIG 1 3.859 -2.339 3.046 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.449 1.010 -0.236 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 8.551 4.057 0.209 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.183 2.924 -0.083 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.615 2.664 -1.303 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.534 3.458 -1.924 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.900 1.548 -1.666 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.188 1.573 -2.670 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.901 0.369 -0.679 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.180 0.440 0.164 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.261 1.775 0.889 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.988 -0.716 1.655 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -0.971 -0.953 0.197 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.112 -1.897 -0.294 0.00 0.00 +0.072 C ATOM 25 N LIG 1 -3.467 -1.420 0.066 0.00 0.00 -0.283 NA ATOM 26 C LIG 1 -3.406 -1.492 1.544 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -2.956 -2.951 1.714 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -2.090 -3.223 0.481 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -2.359 -0.518 2.169 0.00 0.00 +0.103 C BRANCH 25 30 ATOM 30 C LIG 1 -3.848 -0.103 -0.492 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.233 0.361 -0.021 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -5.428 1.696 0.376 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.685 2.140 0.792 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.765 1.261 0.811 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.593 -0.062 0.411 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.337 -0.508 -0.005 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -3.774 -0.061 -2.024 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -3.188 1.044 -2.666 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -3.116 1.105 -4.059 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.634 0.067 -4.830 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.227 -1.031 -4.211 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.300 -1.093 -2.819 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 25 30 ENDBRANCH 1 22 TORSDOF 6