REMARK Name = BDB034379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.273 -3.446 0.097 0.00 0.00 -0.343 N ATOM 2 H LIG 1 1.024 -2.787 -0.150 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.935 -3.070 -0.522 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.274 -1.691 -0.655 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.513 -1.367 -1.251 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -2.857 -0.029 -1.415 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -2.033 1.024 -0.992 0.00 0.00 -0.045 A ATOM 8 C LIG 1 -0.816 0.708 -0.396 0.00 0.00 +0.004 A ATOM 9 N LIG 1 -3.390 -2.293 -1.666 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -3.073 -3.586 -1.470 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -0.445 -0.627 -0.225 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.889 -4.016 -0.902 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 -2.457 2.459 -1.191 0.00 0.00 +0.038 C BRANCH 13 14 ATOM 14 C LIG 1 -3.196 3.140 -0.016 0.00 0.00 -0.007 C ATOM 15 C LIG 1 -4.544 2.472 0.317 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -5.084 2.966 1.654 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.149 2.605 2.810 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -2.690 2.430 2.385 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -2.317 3.357 1.234 0.00 0.00 +0.004 C ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.781 -4.809 -0.031 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 2.194 -4.901 0.560 0.00 0.00 +0.034 C BRANCH 21 22 ATOM 22 C LIG 1 3.257 -4.167 -0.269 0.00 0.00 +0.083 C BRANCH 22 23 ATOM 23 N LIG 1 3.020 -2.722 -0.279 0.00 0.00 -0.312 NA ATOM 24 H LIG 1 3.144 -2.356 0.669 0.00 0.00 +0.122 HD BRANCH 23 25 ATOM 25 C LIG 1 3.988 -2.031 -1.135 0.00 0.00 +0.120 C BRANCH 25 28 ATOM 26 C LIG 1 3.955 1.729 -0.361 0.00 0.00 +0.162 A ATOM 27 C LIG 1 4.268 0.361 -0.320 0.00 0.00 +0.163 A ATOM 28 C LIG 1 3.676 -0.557 -1.192 0.00 0.00 +0.011 A ATOM 29 C LIG 1 2.732 -0.078 -2.112 0.00 0.00 +0.009 A ATOM 30 C LIG 1 2.415 1.281 -2.166 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.025 2.186 -1.294 0.00 0.00 +0.049 A BRANCH 26 33 ATOM 32 C LIG 1 4.305 3.888 0.574 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.622 2.500 0.558 0.00 0.00 -0.491 OA ENDBRANCH 26 33 BRANCH 27 34 ATOM 34 O LIG 1 5.174 -0.083 0.610 0.00 0.00 -0.503 OA ATOM 35 H LIG 1 5.449 0.722 1.093 0.00 0.00 +0.292 HD ENDBRANCH 27 34 ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11