REMARK Name = BDB021084 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.999 -0.180 -0.490 0.00 0.00 -0.017 A ATOM 2 C LIG 1 2.818 -0.010 0.889 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.534 0.081 1.465 0.00 0.00 -0.025 A ATOM 4 C LIG 1 1.441 0.254 2.957 0.00 0.00 +0.038 C ATOM 5 C LIG 1 0.077 0.782 3.354 0.00 0.00 +0.024 C ATOM 6 C LIG 1 -0.996 -0.066 2.691 0.00 0.00 +0.113 C ATOM 7 N LIG 1 -0.935 0.032 1.226 0.00 0.00 -0.283 N ATOM 8 C LIG 1 0.375 -0.019 0.666 0.00 0.00 +0.038 A ATOM 9 C LIG 1 0.572 -0.188 -0.715 0.00 0.00 +0.024 A ATOM 10 C LIG 1 1.851 -0.264 -1.283 0.00 0.00 +0.010 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -2.103 0.133 0.530 0.00 0.00 +0.149 A ATOM 12 C LIG 1 -3.301 -0.518 0.769 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -3.726 -1.531 1.767 0.00 0.00 +0.164 C ATOM 14 N LIG 1 -5.059 -2.066 1.473 0.00 0.00 -0.294 N ATOM 15 C LIG 1 -6.028 -1.131 0.890 0.00 0.00 +0.129 C ATOM 16 C LIG 1 -5.499 -0.507 -0.395 0.00 0.00 +0.142 C ATOM 17 C LIG 1 -5.423 -3.208 2.176 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -4.651 -3.793 2.936 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -6.822 -3.731 1.970 0.00 0.00 +0.109 C ATOM 20 N LIG 1 -4.140 -0.052 -0.214 0.00 0.00 -0.327 N ATOM 21 C LIG 1 -3.451 0.828 -0.992 0.00 0.00 +0.115 A ATOM 22 N LIG 1 -2.217 0.956 -0.565 0.00 0.00 -0.217 NA BRANCH 21 23 ATOM 23 C LIG 1 -4.003 1.574 -2.239 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.502 2.964 -2.532 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.904 2.764 -2.037 0.00 0.00 +0.012 C ENDBRANCH 21 23 ENDBRANCH 7 11 BRANCH 1 30 ATOM 26 C LIG 1 6.585 0.546 -1.366 0.00 0.00 +0.126 A ATOM 27 N LIG 1 6.929 -0.461 -2.219 0.00 0.00 -0.250 NA ATOM 28 C LIG 1 5.964 -1.361 -2.490 0.00 0.00 +0.112 A ATOM 29 C LIG 1 4.684 -1.308 -1.957 0.00 0.00 +0.028 A ATOM 30 C LIG 1 4.345 -0.269 -1.080 0.00 0.00 -0.014 A ATOM 31 C LIG 1 5.331 0.679 -0.784 0.00 0.00 +0.041 A BRANCH 26 35 ATOM 32 C LIG 1 10.028 2.100 -1.480 0.00 0.00 +0.128 C ATOM 33 N LIG 1 8.841 1.333 -1.738 0.00 0.00 -0.313 N ATOM 34 H LIG 1 8.885 0.481 -2.291 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 7.661 1.545 -1.056 0.00 0.00 +0.262 C ATOM 36 O LIG 1 7.484 2.453 -0.253 0.00 0.00 -0.269 OA ENDBRANCH 26 35 ENDBRANCH 1 30 TORSDOF 4