REMARK Name = BDB015201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.321 -2.736 -1.118 0.00 0.00 -0.327 N ATOM 2 H LIG 1 -0.950 -3.506 -0.874 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.938 -2.345 0.606 0.00 0.00 -0.013 A ATOM 4 C LIG 1 1.876 -2.107 -0.275 0.00 0.00 +0.052 A ATOM 5 C LIG 1 0.750 -2.921 -0.240 0.00 0.00 +0.119 A ATOM 6 N LIG 1 0.640 -3.961 0.600 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 1.668 -4.185 1.445 0.00 0.00 +0.113 A ATOM 8 C LIG 1 2.817 -3.416 1.489 0.00 0.00 +0.028 A BRANCH 3 16 ATOM 9 C LIG 1 7.358 3.401 0.725 0.00 0.00 +0.172 C ATOM 10 N LIG 1 6.774 2.082 0.663 0.00 0.00 -0.273 N ATOM 11 N LIG 1 5.437 1.951 0.785 0.00 0.00 -0.171 NA ATOM 12 C LIG 1 5.212 0.629 0.684 0.00 0.00 +0.093 A ATOM 13 C LIG 1 6.466 -0.054 0.509 0.00 0.00 +0.020 A ATOM 14 C LIG 1 6.669 -1.420 0.370 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.439 -2.115 0.414 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.144 -1.497 0.587 0.00 0.00 -0.016 A ATOM 17 C LIG 1 4.006 -0.088 0.730 0.00 0.00 +0.038 A ATOM 18 C LIG 1 7.444 0.901 0.502 0.00 0.00 +0.116 A ENDBRANCH 3 16 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.019 -1.448 -0.930 0.00 0.00 +0.135 C BRANCH 19 20 ATOM 20 C LIG 1 -1.959 -1.236 -2.129 0.00 0.00 +0.145 C BRANCH 20 21 ATOM 21 O LIG 1 -1.204 -1.433 -3.341 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 -0.582 -2.162 -3.118 0.00 0.00 +0.210 HD ENDBRANCH 20 21 BRANCH 20 23 ATOM 23 C LIG 1 -2.594 0.166 -2.175 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 N LIG 1 -3.482 0.431 -1.028 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -4.764 0.997 -1.500 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.681 1.458 -0.387 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -5.178 1.725 0.899 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -6.043 2.185 1.901 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.394 2.403 1.622 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -7.892 2.151 0.347 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.725 1.463 1.205 0.00 0.00 +0.051 C ATOM 32 C LIG 1 -7.040 1.686 -0.656 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -2.871 1.369 -0.068 0.00 0.00 +0.089 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 7