REMARK Name = BDB004750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.632 -1.507 2.101 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.306 -1.117 1.135 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.607 -1.652 1.119 0.00 0.00 -0.024 A ATOM 4 C LIG 1 1.960 -2.577 2.113 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.033 -2.969 3.076 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.259 -2.438 3.069 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.968 -1.091 2.902 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.918 -0.933 2.016 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.057 -0.293 1.245 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.943 -1.673 3.979 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 -5.827 0.250 0.812 0.00 0.00 +0.122 A ATOM 12 N LIG 1 -6.591 0.813 1.776 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -6.198 0.743 3.067 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -5.034 0.137 3.477 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -4.233 -0.425 2.493 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -4.641 -0.389 1.155 0.00 0.00 +0.056 A BRANCH 11 19 ATOM 17 C LIG 1 -5.500 -1.308 -2.166 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -5.442 0.138 -1.676 0.00 0.00 +0.072 C ATOM 19 N LIG 1 -6.283 0.301 -0.488 0.00 0.00 -0.312 N ATOM 20 C LIG 1 -7.447 1.146 -0.765 0.00 0.00 +0.107 C ATOM 21 C LIG 1 -7.529 1.163 -2.288 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -6.066 1.102 -2.698 0.00 0.00 +0.024 C ENDBRANCH 11 19 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 2.655 -1.205 0.099 0.00 0.00 +0.116 C BRANCH 23 24 ATOM 24 N LIG 1 3.130 0.122 0.541 0.00 0.00 -0.320 N ATOM 25 H LIG 1 3.112 0.179 1.557 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 4.409 0.525 0.104 0.00 0.00 +0.130 A ATOM 27 C LIG 1 4.907 1.785 0.498 0.00 0.00 +0.041 A ATOM 28 C LIG 1 6.196 2.126 0.043 0.00 0.00 +0.088 A ATOM 29 C LIG 1 6.717 3.378 0.437 0.00 0.00 +0.063 A ATOM 30 C LIG 1 5.973 4.260 1.245 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.700 3.921 1.674 0.00 0.00 +0.002 A ATOM 32 N LIG 1 6.889 1.272 -0.743 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.309 0.114 -1.076 0.00 0.00 +0.223 A ATOM 34 C LIG 1 4.171 2.693 1.301 0.00 0.00 +0.013 A ATOM 35 N LIG 1 5.103 -0.299 -0.693 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 8.074 3.866 0.034 0.00 0.00 +0.244 C ATOM 37 O LIG 1 8.488 4.968 0.377 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 8.858 3.054 -0.730 0.00 0.00 -0.325 N ATOM 39 H LIG 1 9.767 3.383 -1.021 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 8.522 2.148 -1.043 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 41 ATOM 41 C LIG 1 2.121 -1.132 -1.374 0.00 0.00 +0.110 C BRANCH 41 42 ATOM 42 N LIG 1 1.454 -2.347 -1.903 0.00 0.00 -0.306 NA ATOM 43 C LIG 1 0.889 -2.071 -3.226 0.00 0.00 +0.104 C ATOM 44 C LIG 1 2.381 -3.477 -1.984 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 23 41 ENDBRANCH 3 23 TORSDOF 9