REMARK Name = BDB037750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.669 -0.785 1.988 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.365 -0.295 1.180 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.207 0.046 -0.151 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.486 0.449 -0.629 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.383 0.345 0.365 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.117 -0.041 -0.844 0.00 0.00 +0.057 C ATOM 7 C LIG 1 2.194 0.225 0.241 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.693 -0.067 1.452 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.981 -0.697 1.469 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.946 -1.257 2.005 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.818 0.894 -2.005 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.126 1.246 -2.320 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.290 1.239 -1.483 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.503 1.367 -2.369 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.008 1.425 -3.792 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.309 0.140 -1.520 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.482 1.664 -3.686 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.953 0.938 -2.883 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.163 3.090 -3.912 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.949 4.217 -4.097 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.428 -0.112 2.715 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.361 -1.331 2.760 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.450 -1.115 3.796 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.265 0.025 3.530 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.669 1.036 2.718 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.186 1.198 3.008 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.574 0.091 -0.224 0.00 0.00 -0.299 N ATOM 28 H LIG 1 4.131 -0.639 0.216 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.167 1.022 -1.038 0.00 0.00 +0.248 C ATOM 30 O LIG 1 3.561 1.990 -1.483 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.595 0.824 -1.370 0.00 0.00 +0.081 A ATOM 32 C LIG 1 6.371 -0.227 -0.888 0.00 0.00 +0.167 A ATOM 33 C LIG 1 7.711 -0.413 -1.199 0.00 0.00 +0.110 A ATOM 34 N LIG 1 8.190 -1.533 -0.567 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 7.146 -1.978 0.096 0.00 0.00 +0.309 A ATOM 36 C LIG 1 8.351 0.497 -2.052 0.00 0.00 +0.031 A ATOM 37 C LIG 1 7.606 1.569 -2.559 0.00 0.00 +0.003 A ATOM 38 O LIG 1 6.006 -1.247 -0.048 0.00 0.00 -0.442 OA ATOM 39 C LIG 1 6.255 1.728 -2.224 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.410 -1.320 -1.620 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.123 -2.704 -1.082 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.338 -2.179 -2.252 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.877 -0.683 4.452 0.00 0.00 +0.025 C ATOM 44 C LIG 1 0.517 -1.524 3.235 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7