REMARK Name = BDB033704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.237 -0.216 0.984 0.00 0.00 +0.223 A ATOM 2 N LIG 1 -1.091 -0.204 0.789 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -1.879 0.001 1.865 0.00 0.00 +0.237 A ATOM 4 C LIG 1 -1.394 0.209 3.134 0.00 0.00 +0.131 A ATOM 5 C LIG 1 -0.027 0.182 3.237 0.00 0.00 +0.138 A ATOM 6 N LIG 1 0.796 -0.026 2.188 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 0.998 -0.431 -0.160 0.00 0.00 -0.284 N ATOM 8 H LIG 1 0.380 -0.547 -0.951 0.00 0.00 +0.155 HD BRANCH 7 12 ATOM 9 C LIG 1 5.102 -0.785 -1.057 0.00 0.00 +0.105 A ATOM 10 C LIG 1 4.145 -0.862 -2.067 0.00 0.00 +0.030 A ATOM 11 C LIG 1 2.791 -0.742 -1.740 0.00 0.00 +0.025 A ATOM 12 C LIG 1 2.369 -0.554 -0.411 0.00 0.00 +0.034 A ATOM 13 C LIG 1 3.353 -0.488 0.583 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.713 -0.608 0.270 0.00 0.00 +0.030 A BRANCH 9 15 ATOM 15 S LIG 1 6.818 -0.959 -1.466 0.00 0.00 +0.058 S ATOM 16 O LIG 1 6.917 -1.922 -2.541 0.00 0.00 -0.153 OA ATOM 17 O LIG 1 7.585 -1.095 -0.248 0.00 0.00 -0.153 OA BRANCH 15 19 ATOM 18 C LIG 1 7.500 1.644 -1.256 0.00 0.00 +0.127 C ATOM 19 N LIG 1 7.170 0.537 -2.143 0.00 0.00 -0.193 NA ATOM 20 H LIG 1 7.660 0.461 -3.033 0.00 0.00 +0.148 HD ENDBRANCH 15 19 ENDBRANCH 9 15 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -2.223 0.437 4.266 0.00 0.00 +0.106 C ATOM 22 N LIG 1 -2.869 0.627 5.211 0.00 0.00 -0.191 NA ENDBRANCH 4 21 BRANCH 3 23 ATOM 23 O LIG 1 -3.250 0.038 1.693 0.00 0.00 -0.472 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.744 -0.340 0.393 0.00 0.00 +0.177 C ATOM 25 C LIG 1 -3.778 0.889 -0.525 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -5.042 1.729 -0.406 0.00 0.00 +0.163 C ATOM 27 O LIG 1 -6.043 1.235 -1.291 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.821 0.164 -0.775 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.020 -1.116 -0.557 0.00 0.00 +0.032 C ATOM 30 C LIG 1 -5.098 -1.018 0.653 0.00 0.00 +0.047 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7