REMARK Name = BDB010157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.821 -1.523 0.395 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.475 -1.097 0.664 0.00 0.00 +0.130 A ATOM 3 C LIG 1 1.534 -1.975 0.533 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.721 -1.363 0.800 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.436 -0.123 1.117 0.00 0.00 +0.205 A ATOM 6 N LIG 1 1.409 -3.262 0.181 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 0.133 -3.618 -0.013 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.063 0.070 1.103 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -0.962 -2.824 0.080 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.323 0.876 1.436 0.00 0.00 -0.252 N ATOM 11 H LIG 1 2.989 1.773 1.755 0.00 0.00 +0.158 HD ATOM 12 C LIG 1 4.690 0.766 1.544 0.00 0.00 +0.250 C ATOM 13 O LIG 1 5.314 1.690 2.071 0.00 0.00 -0.270 OA BRANCH 12 14 ATOM 14 C LIG 1 5.450 -0.393 1.034 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.377 -0.771 -0.311 0.00 0.00 +0.013 A ATOM 16 C LIG 1 6.155 -1.834 -0.774 0.00 0.00 +0.001 A ATOM 17 C LIG 1 7.018 -2.500 0.097 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.114 -2.102 1.431 0.00 0.00 +0.001 A ATOM 19 C LIG 1 6.337 -1.043 1.900 0.00 0.00 +0.013 A ENDBRANCH 12 14 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -1.922 -0.675 0.443 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.712 0.241 0.059 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -3.265 -1.193 -1.552 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.213 -1.202 -0.023 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.332 -0.355 0.618 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.588 1.100 0.144 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.830 0.602 -0.614 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.807 -0.667 0.255 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -0.095 -5.058 -0.393 0.00 0.00 +0.375 C ATOM 29 O LIG 1 0.751 -5.926 -0.528 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -1.400 -5.361 -0.596 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -1.383 -6.312 -0.826 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.357 1.242 1.600 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -0.082 2.202 0.517 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.636 2.401 -0.671 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.193 3.319 -1.628 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.965 4.078 -1.412 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.677 3.892 -0.220 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.236 2.973 0.735 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.458 5.051 -2.456 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -2.362 4.483 -3.300 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.077 6.138 -1.919 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.462 5.541 -3.245 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10