REMARK Name = BDB015860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.338 0.111 -0.268 0.00 0.00 +0.041 A ATOM 2 C LIG 1 0.645 0.335 -1.259 0.00 0.00 +0.048 A ATOM 3 C LIG 1 0.206 0.472 -2.575 0.00 0.00 +0.124 A ATOM 4 N LIG 1 -1.088 0.443 -2.973 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.034 0.278 -2.016 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -1.682 0.124 -0.672 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.448 0.271 -2.468 0.00 0.00 +0.090 A ATOM 8 N LIG 1 -4.396 0.093 -1.507 0.00 0.00 -0.245 NA ATOM 9 C LIG 1 -5.703 0.078 -1.872 0.00 0.00 +0.075 A ATOM 10 C LIG 1 -6.112 0.236 -3.190 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -5.144 0.418 -4.171 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -3.800 0.435 -3.808 0.00 0.00 +0.030 A BRANCH 9 13 ATOM 13 C LIG 1 -6.664 -0.114 -0.799 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -6.337 -0.230 0.539 0.00 0.00 +0.118 A ATOM 15 N LIG 1 -7.509 -0.393 1.213 0.00 0.00 -0.274 N ATOM 16 C LIG 1 -7.678 -0.555 2.636 0.00 0.00 +0.172 C ATOM 17 N LIG 1 -8.591 -0.395 0.413 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 -8.073 -0.225 -0.808 0.00 0.00 +0.144 A ENDBRANCH 9 13 ENDBRANCH 5 7 BRANCH 2 19 ATOM 19 C LIG 1 2.077 0.384 -0.932 0.00 0.00 +0.136 A ATOM 20 S LIG 1 3.169 1.433 -1.752 0.00 0.00 -0.041 S ATOM 21 C LIG 1 4.415 0.842 -0.726 0.00 0.00 +0.187 A ATOM 22 N LIG 1 4.003 -0.061 0.140 0.00 0.00 -0.136 NA ATOM 23 N LIG 1 2.654 -0.318 0.029 0.00 0.00 -0.141 NA BRANCH 21 24 ATOM 24 C LIG 1 5.786 1.331 -0.863 0.00 0.00 +0.274 C ATOM 25 N LIG 1 6.756 0.892 0.036 0.00 0.00 -0.293 N ATOM 26 C LIG 1 6.581 0.038 1.204 0.00 0.00 +0.139 C ATOM 27 C LIG 1 7.922 0.098 1.942 0.00 0.00 +0.133 C ATOM 28 C LIG 1 8.913 0.383 0.820 0.00 0.00 +0.052 C ATOM 29 C LIG 1 8.139 1.320 -0.090 0.00 0.00 +0.111 C ATOM 30 O LIG 1 6.116 2.123 -1.752 0.00 0.00 -0.268 OA BRANCH 27 31 ATOM 31 O LIG 1 8.253 -1.115 2.595 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 7.565 -1.293 3.259 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 21 24 ENDBRANCH 2 19 BRANCH 1 33 ATOM 33 N LIG 1 0.025 0.025 1.089 0.00 0.00 -0.341 N ATOM 34 H LIG 1 1.004 -0.261 1.196 0.00 0.00 +0.146 HD BRANCH 33 36 ATOM 35 C LIG 1 -0.872 -2.119 1.902 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -0.836 -0.604 2.094 0.00 0.00 +0.064 C ATOM 37 C LIG 1 -0.274 -0.265 3.477 0.00 0.00 +0.027 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 7