REMARK Name = BDB032817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.654 -1.401 -1.764 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.998 -0.718 -1.803 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -2.858 -0.792 -0.699 0.00 0.00 +0.020 A ATOM 4 C LIG 1 -4.066 -0.123 -0.778 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -5.143 -0.042 0.214 0.00 0.00 +0.248 C ATOM 6 N LIG 1 -6.104 0.814 -0.304 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.809 1.188 -1.681 0.00 0.00 +0.144 C ATOM 8 O LIG 1 -5.156 -0.643 1.271 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.451 0.611 -1.897 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -3.614 0.701 -2.993 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.381 0.038 -2.938 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 -7.438 0.989 0.260 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.331 -0.227 -0.035 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -8.225 -0.917 -1.048 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -9.362 -0.446 0.850 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -9.969 -1.225 0.634 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -9.737 0.331 1.917 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -10.772 0.099 2.536 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -8.868 1.529 2.223 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.438 1.306 1.756 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.286 -0.472 -1.222 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.336 0.010 -0.581 0.00 0.00 -0.251 N ATOM 23 H LIG 1 1.831 0.857 -0.363 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.549 -0.962 -1.129 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.871 -2.084 -1.488 0.00 0.00 -0.226 OA BRANCH 22 31 ATOM 26 C LIG 1 6.723 -2.353 -0.486 0.00 0.00 +0.044 C ATOM 27 C LIG 1 5.893 -1.128 -0.203 0.00 0.00 -0.041 A ATOM 28 C LIG 1 6.462 0.028 0.371 0.00 0.00 -0.015 A ATOM 29 C LIG 1 5.634 1.136 0.609 0.00 0.00 +0.010 A ATOM 30 C LIG 1 4.275 1.106 0.286 0.00 0.00 +0.024 A ATOM 31 C LIG 1 3.708 -0.035 -0.286 0.00 0.00 +0.037 A ATOM 32 C LIG 1 4.521 -1.144 -0.528 0.00 0.00 +0.027 A BRANCH 28 33 ATOM 33 C LIG 1 7.885 0.112 0.726 0.00 0.00 -0.018 A ATOM 34 C LIG 1 8.313 -0.170 2.032 0.00 0.00 +0.008 A ATOM 35 C LIG 1 9.665 -0.086 2.373 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.604 0.284 1.412 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.194 0.570 0.112 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.842 0.486 -0.229 0.00 0.00 +0.008 A ENDBRANCH 28 33 ENDBRANCH 22 31 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6