REMARK Name = BDB021026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.236 -0.075 1.171 0.00 0.00 +0.073 A ATOM 2 N LIG 1 2.320 0.374 0.285 0.00 0.00 -0.254 NA ATOM 3 C LIG 1 1.006 0.207 0.588 0.00 0.00 +0.120 A ATOM 4 C LIG 1 0.513 -0.401 1.752 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.489 -0.854 2.663 0.00 0.00 -0.014 A ATOM 6 C LIG 1 1.089 -1.472 3.859 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -0.260 -1.643 4.160 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.232 -1.204 3.267 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.864 -0.590 2.059 0.00 0.00 +0.011 A ATOM 10 C LIG 1 2.850 -0.684 2.364 0.00 0.00 +0.037 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.909 -0.148 1.153 0.00 0.00 +0.094 A ATOM 12 C LIG 1 -2.909 -0.930 0.611 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -3.243 -2.373 0.751 0.00 0.00 +0.164 C ATOM 14 N LIG 1 -4.239 -2.784 -0.236 0.00 0.00 -0.278 N ATOM 15 C LIG 1 -5.311 -1.818 -0.501 0.00 0.00 +0.131 C ATOM 16 C LIG 1 -4.752 -0.486 -0.990 0.00 0.00 +0.142 C ATOM 17 C LIG 1 -4.433 -4.156 -0.343 0.00 0.00 +0.302 C ATOM 18 N LIG 1 -5.361 -4.525 -1.285 0.00 0.00 -0.302 N ATOM 19 H LIG 1 -5.332 -3.955 -2.116 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -5.614 -5.928 -1.512 0.00 0.00 +0.129 C ATOM 21 O LIG 1 -3.822 -4.975 0.337 0.00 0.00 -0.253 OA ATOM 22 N LIG 1 -3.628 -0.066 -0.180 0.00 0.00 -0.328 N ATOM 23 C LIG 1 -3.041 1.173 -0.120 0.00 0.00 +0.114 A ATOM 24 N LIG 1 -1.999 1.140 0.689 0.00 0.00 -0.232 NA BRANCH 23 25 ATOM 25 C LIG 1 -3.492 2.376 -0.903 0.00 0.00 +0.059 C ATOM 26 C LIG 1 -3.280 3.676 -0.107 0.00 0.00 +0.039 C ATOM 27 C LIG 1 -1.974 4.342 -0.513 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -1.978 4.729 -1.889 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -2.680 3.852 -2.768 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -2.760 2.423 -2.254 0.00 0.00 +0.039 C ENDBRANCH 23 25 ENDBRANCH 9 11 BRANCH 1 34 ATOM 31 C LIG 1 7.250 0.642 -0.009 0.00 0.00 +0.125 A ATOM 32 N LIG 1 6.274 1.467 -0.472 0.00 0.00 -0.250 NA ATOM 33 C LIG 1 5.008 1.184 -0.067 0.00 0.00 +0.121 A ATOM 34 C LIG 1 4.644 0.135 0.786 0.00 0.00 +0.018 A ATOM 35 C LIG 1 5.694 -0.685 1.227 0.00 0.00 +0.014 A ATOM 36 C LIG 1 7.010 -0.435 0.831 0.00 0.00 +0.033 A BRANCH 31 40 ATOM 37 C LIG 1 10.003 2.548 -1.760 0.00 0.00 +0.128 C ATOM 38 N LIG 1 8.743 2.015 -1.323 0.00 0.00 -0.313 N ATOM 39 H LIG 1 7.878 2.525 -1.493 0.00 0.00 +0.149 HD ATOM 40 C LIG 1 8.648 0.950 -0.453 0.00 0.00 +0.262 C ATOM 41 O LIG 1 9.607 0.299 -0.052 0.00 0.00 -0.269 OA ENDBRANCH 31 40 ENDBRANCH 1 34 TORSDOF 4