REMARK Name = BDB034245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.099 2.046 -0.757 0.00 0.00 +0.190 C ATOM 2 C LIG 1 0.312 1.403 0.605 0.00 0.00 +0.097 C ATOM 3 C LIG 1 0.686 2.527 1.601 0.00 0.00 +0.022 C ATOM 4 C LIG 1 1.780 3.452 1.070 0.00 0.00 +0.002 C ATOM 5 C LIG 1 1.398 4.055 -0.276 0.00 0.00 +0.004 C ATOM 6 C LIG 1 1.000 2.983 -1.289 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.447 0.470 0.435 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 1.675 -0.345 1.656 0.00 0.00 +0.094 C ATOM 9 C LIG 1 1.845 -1.591 0.751 0.00 0.00 +0.047 C ATOM 10 C LIG 1 1.040 -0.764 -0.282 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 3.317 -2.090 0.380 0.00 0.00 -0.040 A ATOM 12 C LIG 1 4.310 -1.226 -0.136 0.00 0.00 +0.027 A ATOM 13 C LIG 1 5.619 -1.635 -0.466 0.00 0.00 +0.030 A ATOM 14 C LIG 1 5.925 -2.985 -0.276 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.977 -3.876 0.228 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.696 -3.432 0.551 0.00 0.00 +0.004 A BRANCH 13 17 ATOM 17 N LIG 1 6.530 -0.689 -0.956 0.00 0.00 -0.326 N ATOM 18 C LIG 1 7.754 -1.121 -1.659 0.00 0.00 +0.133 C ATOM 19 C LIG 1 8.977 -0.972 -0.744 0.00 0.00 +0.178 C ATOM 20 O LIG 1 9.215 0.382 -0.320 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.039 1.206 -0.370 0.00 0.00 +0.178 C ATOM 22 C LIG 1 6.748 0.447 -0.022 0.00 0.00 +0.133 C ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 23 ATOM 23 O LIG 1 -1.289 2.844 -0.609 0.00 0.00 -0.487 OA BRANCH 23 30 ATOM 24 N LIG 1 -6.040 -0.770 -0.561 0.00 0.00 -0.282 N ATOM 25 C LIG 1 -6.289 0.467 0.007 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -7.304 0.862 0.544 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.052 1.247 -0.106 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.070 0.425 -0.650 0.00 0.00 -0.015 A ATOM 29 C LIG 1 -2.782 0.900 -0.849 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -2.500 2.221 -0.486 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -3.515 3.042 0.048 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -4.809 2.556 0.252 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -4.636 -0.929 -0.919 0.00 0.00 +0.144 C BRANCH 24 40 ATOM 34 O LIG 1 -10.357 -1.966 1.884 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -9.364 -1.920 1.162 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -8.182 -2.472 1.575 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -8.183 -2.836 2.518 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -6.970 -2.471 0.937 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -5.957 -2.865 1.517 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -6.928 -1.926 -0.491 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -8.307 -1.749 -1.123 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -9.381 -1.237 -0.180 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 6