REMARK Name = BDB025560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.540 1.563 0.133 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.329 2.262 -0.674 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.040 2.901 -1.375 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.180 0.613 0.827 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.243 0.064 -0.178 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -2.916 1.128 0.641 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.967 2.142 0.174 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.023 3.267 1.220 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.268 2.954 2.045 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.377 1.432 1.988 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.858 0.060 -1.350 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -4.413 3.550 1.435 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -4.498 3.192 0.533 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.049 -1.093 0.421 0.00 0.00 +0.198 C BRANCH 14 15 ATOM 15 N LIG 1 -4.873 -1.713 -0.607 0.00 0.00 -0.232 N ATOM 16 C LIG 1 -6.042 -1.206 -1.133 0.00 0.00 +0.090 A ATOM 17 C LIG 1 -6.454 -2.207 -2.006 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -7.632 -2.039 -2.746 0.00 0.00 +0.032 A ATOM 19 C LIG 1 -8.365 -0.857 -2.579 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -7.932 0.134 -1.695 0.00 0.00 +0.002 A ATOM 21 N LIG 1 -5.567 -3.246 -1.966 0.00 0.00 -0.129 NA ATOM 22 C LIG 1 -6.757 -0.017 -0.949 0.00 0.00 +0.029 A ATOM 23 N LIG 1 -4.609 -2.937 -1.103 0.00 0.00 -0.064 NA ENDBRANCH 14 15 BRANCH 14 25 ATOM 24 C LIG 1 -1.992 -2.686 0.544 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -3.141 -2.006 1.295 0.00 0.00 +0.016 C ATOM 26 C LIG 1 -3.951 -3.035 2.089 0.00 0.00 +0.010 C ENDBRANCH 14 25 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 27 ATOM 27 C LIG 1 1.690 1.777 -0.917 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C LIG 1 2.147 2.408 -2.245 0.00 0.00 +0.231 C ATOM 29 O LIG 1 1.532 3.324 -2.791 0.00 0.00 -0.274 OA ATOM 30 N LIG 1 3.280 1.905 -2.808 0.00 0.00 -0.328 N ATOM 31 H LIG 1 3.576 2.277 -3.701 0.00 0.00 +0.145 HD ATOM 32 H LIG 1 3.778 1.108 -2.429 0.00 0.00 +0.145 HD ENDBRANCH 27 28 BRANCH 27 33 ATOM 33 C LIG 1 2.628 2.154 0.241 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 3.892 1.327 0.292 0.00 0.00 -0.045 A ATOM 35 C LIG 1 5.138 1.904 0.025 0.00 0.00 +0.004 A ATOM 36 C LIG 1 6.300 1.127 0.056 0.00 0.00 +0.009 A ATOM 37 C LIG 1 6.251 -0.243 0.360 0.00 0.00 -0.018 A ATOM 38 C LIG 1 4.996 -0.809 0.636 0.00 0.00 +0.009 A ATOM 39 C LIG 1 3.832 -0.036 0.606 0.00 0.00 +0.004 A BRANCH 37 40 ATOM 40 C LIG 1 7.476 -1.058 0.394 0.00 0.00 -0.018 A ATOM 41 C LIG 1 8.364 -1.079 -0.695 0.00 0.00 +0.008 A ATOM 42 C LIG 1 9.527 -1.853 -0.664 0.00 0.00 +0.001 A ATOM 43 C LIG 1 9.823 -2.621 0.460 0.00 0.00 +0.000 A ATOM 44 C LIG 1 8.958 -2.615 1.550 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.795 -1.841 1.517 0.00 0.00 +0.008 A ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 2 27 TORSDOF 10