REMARK Name = BDB015967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.322 4.184 0.131 0.00 0.00 +0.067 A ATOM 2 C LIG 1 -0.076 2.854 0.020 0.00 0.00 +0.133 A ATOM 3 N LIG 1 0.820 1.862 0.138 0.00 0.00 -0.212 NA ATOM 4 C LIG 1 2.112 2.155 0.389 0.00 0.00 +0.162 A ATOM 5 N LIG 1 2.590 3.400 0.509 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 1.673 4.384 0.380 0.00 0.00 +0.127 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -2.283 8.643 -0.859 0.00 0.00 +0.075 C ATOM 8 C LIG 1 -1.818 7.304 -0.418 0.00 0.00 +0.099 A ATOM 9 S LIG 1 -0.242 6.746 -0.807 0.00 0.00 -0.051 S ATOM 10 C LIG 1 -0.624 5.291 0.032 0.00 0.00 +0.137 A ATOM 11 N LIG 1 -1.844 5.284 0.539 0.00 0.00 -0.141 NA ATOM 12 N LIG 1 -2.532 6.451 0.283 0.00 0.00 -0.146 NA ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 C LIG 1 3.020 1.006 0.544 0.00 0.00 +0.020 A ATOM 14 C LIG 1 2.480 -0.277 0.740 0.00 0.00 +0.020 A ATOM 15 C LIG 1 3.263 -1.433 0.812 0.00 0.00 -0.014 A ATOM 16 C LIG 1 4.647 -1.310 0.724 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.222 -0.043 0.572 0.00 0.00 +0.001 A ATOM 18 C LIG 1 4.417 1.103 0.481 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 2.579 -2.703 0.929 0.00 0.00 +0.020 A ATOM 20 C LIG 1 2.840 -3.825 0.175 0.00 0.00 +0.116 A ATOM 21 N LIG 1 1.845 -4.719 0.465 0.00 0.00 -0.274 N ATOM 22 C LIG 1 1.686 -6.034 -0.108 0.00 0.00 +0.172 C ATOM 23 N LIG 1 0.934 -4.242 1.339 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 1.409 -3.035 1.652 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 4 13 BRANCH 2 25 ATOM 25 N LIG 1 -1.395 2.521 -0.313 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.049 3.102 0.216 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.842 1.124 -0.421 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -1.751 0.355 0.902 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -2.273 -1.082 0.795 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -2.011 -1.758 -0.561 0.00 0.00 +0.076 C ATOM 31 C LIG 1 -0.893 -1.076 -1.345 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -1.205 0.395 -1.618 0.00 0.00 +0.024 C BRANCH 30 33 ATOM 33 N LIG 1 -1.671 -3.172 -0.335 0.00 0.00 -0.192 NA ATOM 34 H LIG 1 -0.805 -3.413 0.167 0.00 0.00 +0.148 HD BRANCH 33 35 ATOM 35 S LIG 1 -2.165 -4.339 -1.428 0.00 0.00 +0.027 S ATOM 36 O LIG 1 -2.371 -3.716 -2.716 0.00 0.00 -0.158 OA ATOM 37 O LIG 1 -1.277 -5.469 -1.270 0.00 0.00 -0.158 OA ATOM 38 C LIG 1 -3.748 -4.789 -0.753 0.00 0.00 +0.214 C ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 2 25 TORSDOF 7