REMARK Name = BDB037739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.736 -2.188 0.019 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.556 -1.083 0.276 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.090 0.172 0.623 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.230 0.895 1.065 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.351 0.192 0.818 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.369 0.518 0.597 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.085 -0.485 -0.352 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.927 -0.974 0.277 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.656 -1.936 -0.035 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.497 -2.830 0.082 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.256 2.197 1.758 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.240 3.113 1.402 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.285 4.431 1.975 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.476 5.157 1.418 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.191 4.212 0.489 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.385 4.873 2.893 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.266 2.973 0.345 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.419 2.462 2.621 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.662 2.933 -1.002 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.185 2.889 -2.060 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.932 -1.841 -0.338 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.673 -2.663 0.726 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -6.027 -3.108 0.199 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.882 -2.018 -0.137 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -6.223 -0.810 -0.514 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.915 -1.069 -1.242 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 0.789 -0.236 -1.779 0.00 0.00 -0.301 N ATOM 28 H LIG 1 -0.181 -0.311 -2.062 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 1.640 -0.355 -2.841 0.00 0.00 +0.251 C ATOM 30 O LIG 1 1.158 -0.417 -3.974 0.00 0.00 -0.272 OA BRANCH 29 31 ATOM 31 C LIG 1 3.145 -0.316 -2.606 0.00 0.00 +0.324 C BRANCH 31 32 ATOM 32 O LIG 1 3.562 -1.496 -1.939 0.00 0.00 -0.483 OA BRANCH 32 33 ATOM 33 C LIG 1 4.822 -1.479 -1.405 0.00 0.00 +0.121 A ATOM 34 C LIG 1 5.841 -0.593 -1.764 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.064 -0.700 -1.118 0.00 0.00 -0.041 A ATOM 36 C LIG 1 8.304 0.104 -1.356 0.00 0.00 +0.036 C ATOM 37 C LIG 1 9.111 -0.210 -0.088 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.695 -1.618 0.361 0.00 0.00 +0.036 C ATOM 39 C LIG 1 7.288 -1.680 -0.145 0.00 0.00 -0.044 A ATOM 40 C LIG 1 6.296 -2.579 0.201 0.00 0.00 +0.007 A ATOM 41 C LIG 1 5.058 -2.471 -0.436 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 42 ATOM 42 C LIG 1 0.687 1.941 0.167 0.00 0.00 -0.001 C ATOM 43 C LIG 1 1.103 2.992 1.169 0.00 0.00 +0.004 C ATOM 44 C LIG 1 2.112 2.451 0.204 0.00 0.00 +0.004 C ENDBRANCH 6 42 BRANCH 1 46 ATOM 45 C LIG 1 -1.157 -3.982 1.675 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -1.121 -3.587 0.205 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9