REMARK Name = BDB003370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.286 -0.703 -1.010 0.00 0.00 +0.129 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.451 0.776 -0.826 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -2.821 1.636 -1.978 0.00 0.00 +0.269 A ATOM 4 O LIG 1 -3.186 1.246 -3.071 0.00 0.00 -0.266 OA ATOM 5 N LIG 1 -2.695 2.949 -1.561 0.00 0.00 -0.266 N ATOM 6 H LIG 1 -3.183 3.695 -2.048 0.00 0.00 +0.190 HD ATOM 7 N LIG 1 -2.558 2.959 -0.176 0.00 0.00 -0.301 N ATOM 8 H LIG 1 -1.854 3.608 0.183 0.00 0.00 +0.186 HD ATOM 9 C LIG 1 -2.306 1.641 0.199 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -1.879 1.344 1.598 0.00 0.00 +0.065 C ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 -3.534 -1.422 -0.595 0.00 0.00 +0.053 A ATOM 12 C LIG 1 -3.841 -1.798 0.808 0.00 0.00 +0.269 A ATOM 13 O LIG 1 -3.213 -1.487 1.798 0.00 0.00 -0.266 OA ATOM 14 N LIG 1 -4.989 -2.572 0.779 0.00 0.00 -0.266 N ATOM 15 H LIG 1 -5.581 -2.574 1.600 0.00 0.00 +0.190 HD ATOM 16 N LIG 1 -5.551 -2.472 -0.492 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -5.906 -3.353 -0.881 0.00 0.00 +0.186 HD ATOM 18 C LIG 1 -4.591 -1.873 -1.299 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -4.806 -1.809 -2.778 0.00 0.00 +0.065 C ENDBRANCH 1 11 BRANCH 1 22 ATOM 20 C LIG 1 1.154 -1.160 0.023 0.00 0.00 +0.135 A ATOM 21 O LIG 1 0.084 -0.447 -0.445 0.00 0.00 -0.459 OA ATOM 22 C LIG 1 -0.985 -1.295 -0.516 0.00 0.00 +0.118 A ATOM 23 C LIG 1 -0.586 -2.568 -0.150 0.00 0.00 +0.046 A ATOM 24 C LIG 1 0.786 -2.479 0.197 0.00 0.00 +0.050 A BRANCH 20 28 ATOM 25 C LIG 1 4.754 1.076 0.686 0.00 0.00 +0.059 A ATOM 26 C LIG 1 3.557 1.732 0.390 0.00 0.00 +0.015 A ATOM 27 C LIG 1 2.386 0.999 0.162 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.383 -0.401 0.229 0.00 0.00 +0.017 A ATOM 29 C LIG 1 3.590 -1.051 0.520 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.766 -0.321 0.743 0.00 0.00 +0.015 A BRANCH 25 31 ATOM 31 C LIG 1 5.967 1.901 0.942 0.00 0.00 +0.339 C ATOM 32 O LIG 1 5.965 3.122 0.956 0.00 0.00 -0.245 OA BRANCH 31 34 ATOM 33 C LIG 1 8.246 1.827 1.441 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.044 1.109 1.158 0.00 0.00 -0.464 OA ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 20 28 ENDBRANCH 1 22 TORSDOF 6