REMARK Name = BDB020695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.297 0.974 -0.386 0.00 0.00 +0.007 A ATOM 2 C LIG 1 -2.004 0.481 -0.447 0.00 0.00 +0.055 A ATOM 3 N LIG 1 -1.956 -0.761 0.194 0.00 0.00 -0.318 N ATOM 4 C LIG 1 -0.769 -1.542 0.312 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.387 -1.030 -0.204 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.339 0.269 -0.894 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.752 -1.667 -0.109 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -3.233 -1.012 0.665 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.797 0.981 -1.008 0.00 0.00 +0.040 A ATOM 10 C LIG 1 -4.066 0.032 0.335 0.00 0.00 +0.028 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.660 4.459 -0.640 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -4.237 3.240 -0.107 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -3.727 2.241 -0.950 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -3.655 2.463 -2.329 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -4.077 3.679 -2.863 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -4.576 4.671 -2.019 0.00 0.00 +0.045 A BRANCH 11 18 ATOM 17 C LIG 1 -5.262 5.354 1.479 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -5.169 5.514 0.069 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 1.546 0.866 -1.537 0.00 0.00 +0.245 C ATOM 20 N LIG 1 1.966 2.025 -0.934 0.00 0.00 -0.307 N ATOM 21 H LIG 1 1.517 2.331 -0.078 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 2.113 0.320 -2.475 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 3.222 2.657 -1.271 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 4.298 2.128 -0.368 0.00 0.00 +0.037 A ATOM 25 C LIG 1 4.248 2.659 1.035 0.00 0.00 +0.254 A ATOM 26 O LIG 1 3.363 3.423 1.411 0.00 0.00 -0.268 OA ATOM 27 N LIG 1 5.234 2.236 1.890 0.00 0.00 -0.326 N ATOM 28 H LIG 1 5.180 2.608 2.830 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 6.233 1.360 1.550 0.00 0.00 +0.016 A ATOM 30 C LIG 1 7.219 1.000 2.618 0.00 0.00 +0.063 C ATOM 31 C LIG 1 6.276 0.875 0.301 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.289 1.268 -0.696 0.00 0.00 -0.039 A ATOM 33 C LIG 1 5.486 0.634 -2.046 0.00 0.00 +0.044 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 6 19 BRANCH 4 34 ATOM 34 C LIG 1 -0.829 -2.914 1.004 0.00 0.00 +0.101 C ATOM 35 C LIG 1 -0.890 -2.688 2.528 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 -1.892 -3.807 0.486 0.00 0.00 -0.290 NA ATOM 37 C LIG 1 -1.743 -4.123 -0.955 0.00 0.00 +0.113 C ATOM 38 C LIG 1 -1.187 -5.530 -1.224 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -1.995 -6.576 -0.670 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -2.754 -6.153 0.470 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -2.044 -5.052 1.270 0.00 0.00 +0.113 C ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 7