REMARK Name = BDB034515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.484 -1.035 -0.754 0.00 0.00 +0.121 A ATOM 2 C LIG 1 2.565 -0.151 -0.834 0.00 0.00 +0.051 A ATOM 3 C LIG 1 3.697 -0.425 -0.079 0.00 0.00 -0.015 A ATOM 4 C LIG 1 4.974 0.338 0.026 0.00 0.00 +0.145 C ATOM 5 N LIG 1 5.761 -0.452 0.965 0.00 0.00 -0.279 N ATOM 6 C LIG 1 5.058 -1.575 1.396 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.407 -2.443 2.173 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.753 -1.553 0.731 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.708 -2.448 0.828 0.00 0.00 +0.017 A ATOM 10 C LIG 1 1.566 -2.178 0.071 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 7.132 -0.066 1.390 0.00 0.00 +0.116 C ATOM 12 C LIG 1 7.743 1.307 0.730 0.00 0.00 +0.243 C ATOM 13 O LIG 1 7.221 2.066 -0.086 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 9.017 1.587 1.194 0.00 0.00 -0.254 N ATOM 15 H LIG 1 9.484 2.411 0.844 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.693 0.791 2.095 0.00 0.00 +0.223 C ATOM 17 O LIG 1 10.828 1.082 2.462 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.845 -0.458 2.544 0.00 0.00 +0.080 C ATOM 19 C LIG 1 7.375 -0.105 2.948 0.00 0.00 +0.048 C ATOM 20 C LIG 1 8.192 -1.234 1.352 0.00 0.00 +0.048 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 O LIG 1 0.300 -0.927 -1.428 0.00 0.00 -0.487 OA BRANCH 21 23 ATOM 22 C LIG 1 -1.533 0.555 -2.173 0.00 0.00 +0.097 C ATOM 23 C LIG 1 0.007 0.266 -2.170 0.00 0.00 +0.190 C ATOM 24 C LIG 1 0.526 0.044 -3.606 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -0.233 0.816 -4.678 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.793 2.111 -4.125 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -1.787 1.853 -2.992 0.00 0.00 +0.022 C BRANCH 22 30 ATOM 28 C LIG 1 -3.803 -0.506 -0.530 0.00 0.00 +0.020 C ATOM 29 C LIG 1 -2.317 -0.574 -0.121 0.00 0.00 +0.090 C ATOM 30 N LIG 1 -2.074 0.730 -0.798 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -3.537 0.993 -0.765 0.00 0.00 +0.090 C BRANCH 28 35 ATOM 32 C LIG 1 -7.318 -0.534 2.117 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -7.419 -1.144 0.716 0.00 0.00 +0.032 C ATOM 34 C LIG 1 -6.276 -0.686 -0.191 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -4.900 -0.992 0.426 0.00 0.00 -0.005 C ATOM 36 C LIG 1 -4.792 -0.401 1.837 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -5.951 -0.851 2.732 0.00 0.00 +0.032 C BRANCH 32 39 ATOM 38 C LIG 1 -8.799 1.332 1.973 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -7.452 0.891 2.075 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 28 35 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6