REMARK Name = BDB035134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.049 -0.557 1.731 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 1.384 -0.078 2.142 0.00 0.00 +0.100 C ATOM 3 C LIG 1 2.485 -0.182 1.052 0.00 0.00 +0.101 C ATOM 4 N LIG 1 2.288 -1.292 0.098 0.00 0.00 -0.280 NA ATOM 5 C LIG 1 1.555 -2.396 0.732 0.00 0.00 +0.101 C ATOM 6 C LIG 1 0.165 -1.961 1.271 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.497 -1.733 -0.598 0.00 0.00 +0.165 C ATOM 8 N LIG 1 3.839 -0.727 -1.621 0.00 0.00 -0.218 NA ATOM 9 H LIG 1 2.997 -0.169 -1.748 0.00 0.00 +0.147 HD ATOM 10 N LIG 1 4.944 0.080 -1.253 0.00 0.00 -0.247 N ATOM 11 C LIG 1 6.185 -0.468 -0.653 0.00 0.00 +0.197 C ATOM 12 N LIG 1 6.660 0.672 0.149 0.00 0.00 -0.324 N ATOM 13 H LIG 1 7.639 0.889 0.001 0.00 0.00 +0.148 HD ATOM 14 C LIG 1 5.829 1.777 -0.103 0.00 0.00 +0.018 C ATOM 15 C LIG 1 6.109 3.121 0.463 0.00 0.00 +0.062 C ATOM 16 C LIG 1 5.859 -1.607 0.259 0.00 0.00 +0.014 C ATOM 17 C LIG 1 4.804 1.406 -0.888 0.00 0.00 +0.108 C ATOM 18 C LIG 1 4.641 -2.179 0.288 0.00 0.00 +0.008 C ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 C LIG 1 -0.515 0.317 0.688 0.00 0.00 +0.121 C BRANCH 19 29 ATOM 20 C LIG 1 -6.764 -0.125 -1.269 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -5.834 -0.555 -2.395 0.00 0.00 +0.221 C ATOM 22 O LIG 1 -6.254 -0.839 -3.515 0.00 0.00 -0.275 OA ATOM 23 N LIG 1 -4.488 -0.531 -2.151 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -3.896 -0.715 -2.951 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -3.922 -0.281 -0.900 0.00 0.00 +0.055 A ATOM 26 C LIG 1 -4.723 -0.177 0.234 0.00 0.00 +0.063 A ATOM 27 N LIG 1 -4.226 0.069 1.468 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 -2.883 0.215 1.568 0.00 0.00 +0.116 A ATOM 29 C LIG 1 -2.000 0.117 0.495 0.00 0.00 -0.014 A ATOM 30 C LIG 1 -2.545 -0.138 -0.768 0.00 0.00 +0.031 A ATOM 31 C LIG 1 -6.196 -0.442 0.116 0.00 0.00 +0.070 C BRANCH 20 33 ATOM 32 C LIG 1 -6.153 2.405 -1.247 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -7.215 1.336 -1.456 0.00 0.00 +0.010 C ENDBRANCH 20 33 ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 4