REMARK Name = BDB062433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.019 1.812 0.019 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 0.282 0.443 -0.492 0.00 0.00 +0.103 C ATOM 3 C LIG 1 1.732 0.212 -0.975 0.00 0.00 +0.122 C ATOM 4 N LIG 1 2.662 0.415 0.151 0.00 0.00 -0.311 N ATOM 5 C LIG 1 2.368 1.569 1.021 0.00 0.00 +0.122 C ATOM 6 C LIG 1 1.270 2.482 0.425 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.997 0.119 -0.120 0.00 0.00 +0.144 A ATOM 8 N LIG 1 4.383 -0.242 -1.364 0.00 0.00 -0.133 NA ATOM 9 N LIG 1 5.699 -0.554 -1.661 0.00 0.00 -0.143 NA ATOM 10 C LIG 1 6.622 -0.533 -0.682 0.00 0.00 +0.148 A ATOM 11 C LIG 1 6.285 -0.190 0.615 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.956 0.135 0.891 0.00 0.00 +0.048 A BRANCH 10 13 ATOM 13 C LIG 1 8.015 -0.898 -1.070 0.00 0.00 +0.264 C ATOM 14 N LIG 1 8.756 -1.583 -0.114 0.00 0.00 -0.313 N ATOM 15 H LIG 1 8.264 -2.031 0.647 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 10.065 -2.090 -0.447 0.00 0.00 +0.128 C ATOM 17 O LIG 1 8.460 -0.614 -2.176 0.00 0.00 -0.268 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 -0.972 1.803 1.105 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 -6.793 -1.028 0.001 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -6.057 -1.772 1.072 0.00 0.00 +0.252 A ATOM 21 O LIG 1 -6.534 -2.763 1.618 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 -4.821 -1.300 1.422 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -4.344 -1.818 2.147 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 -4.217 -0.185 0.832 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -4.898 0.505 -0.177 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -4.299 1.617 -0.770 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.031 2.032 -0.354 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.343 1.340 0.657 0.00 0.00 -0.031 A ATOM 29 C LIG 1 -2.950 0.224 1.251 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -6.223 0.039 -0.586 0.00 0.00 +0.019 A BRANCH 19 32 ATOM 31 C LIG 1 -9.231 -1.161 0.599 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -8.146 -1.552 -0.395 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5