REMARK Name = BDB035237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -9.178 -0.479 1.889 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -7.801 -0.761 1.335 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -7.388 -0.234 0.132 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -6.053 -0.389 -0.282 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -5.614 0.198 -1.268 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -5.179 -1.290 0.513 0.00 0.00 +0.078 A ATOM 7 C LIG 1 -5.765 -1.836 1.657 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -5.042 -2.723 2.462 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.741 -3.081 2.134 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -3.153 -2.542 0.994 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -3.850 -1.633 0.177 0.00 0.00 +0.022 A ATOM 12 N LIG 1 -7.063 -1.531 2.064 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -8.224 0.608 -0.751 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -8.459 2.007 -0.175 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -7.837 2.475 0.774 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -9.433 2.747 -0.809 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -9.600 3.668 -0.424 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -10.391 2.290 -1.681 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -11.340 2.997 -2.004 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -10.192 0.899 -2.242 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -9.537 -0.022 -1.218 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 S LIG 1 -2.928 -1.065 -1.253 0.00 0.00 -0.123 S BRANCH 22 23 ATOM 23 C LIG 1 -2.495 0.634 -0.706 0.00 0.00 +0.090 C BRANCH 23 24 ATOM 24 C LIG 1 -1.400 0.706 0.378 0.00 0.00 +0.095 C BRANCH 24 25 ATOM 25 N LIG 1 -0.011 0.821 -0.112 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 0.445 -0.387 -0.827 0.00 0.00 +0.100 C ATOM 27 C LIG 1 1.935 -0.311 -1.238 0.00 0.00 +0.100 C ATOM 28 N LIG 1 2.838 -0.065 -0.093 0.00 0.00 -0.300 NA ATOM 29 C LIG 1 2.386 1.157 0.603 0.00 0.00 +0.100 C ATOM 30 C LIG 1 0.901 1.073 1.025 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 31 C LIG 1 4.231 0.042 -0.566 0.00 0.00 +0.085 C BRANCH 31 32 ATOM 32 C LIG 1 5.248 0.035 0.588 0.00 0.00 +0.022 C BRANCH 32 33 ATOM 33 C LIG 1 6.742 -0.007 0.170 0.00 0.00 -0.027 C ATOM 34 C LIG 1 7.127 1.196 -0.727 0.00 0.00 +0.010 C ATOM 35 C LIG 1 8.627 1.161 -1.072 0.00 0.00 -0.010 C ATOM 36 C LIG 1 8.945 -0.146 -1.817 0.00 0.00 +0.007 C ATOM 37 C LIG 1 8.598 -1.354 -0.930 0.00 0.00 -0.010 C ATOM 38 C LIG 1 9.422 -1.285 0.364 0.00 0.00 +0.007 C ATOM 39 C LIG 1 9.109 0.017 1.117 0.00 0.00 -0.010 C ATOM 40 C LIG 1 9.451 1.219 0.223 0.00 0.00 +0.007 C ATOM 41 C LIG 1 7.098 -1.314 -0.585 0.00 0.00 +0.010 C ATOM 42 C LIG 1 7.611 0.053 1.458 0.00 0.00 +0.010 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 8