REMARK Name = BDB021597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.313 -3.219 -1.053 0.00 0.00 +0.057 C ATOM 2 C LIG 1 1.567 -2.394 -2.113 0.00 0.00 +0.122 C ATOM 3 O LIG 1 2.470 -1.433 -2.690 0.00 0.00 -0.468 OA ATOM 4 C LIG 1 2.643 -0.297 -1.950 0.00 0.00 +0.228 A ATOM 5 C LIG 1 1.675 0.695 -1.899 0.00 0.00 +0.098 A ATOM 6 C LIG 1 1.990 1.891 -1.254 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.243 2.036 -0.664 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.152 0.980 -0.739 0.00 0.00 +0.059 A ATOM 9 C LIG 1 0.336 0.519 -2.492 0.00 0.00 +0.252 C ATOM 10 O LIG 1 -0.198 1.478 -3.042 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.292 -0.715 -2.335 0.00 0.00 -0.291 N ATOM 12 N LIG 1 3.865 -0.179 -1.387 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 0.285 -1.775 -1.501 0.00 0.00 +0.155 C ATOM 14 C LIG 1 1.181 -3.325 -3.274 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 5.522 1.097 -0.088 0.00 0.00 +0.140 C BRANCH 15 16 ATOM 16 N LIG 1 5.609 0.488 1.254 0.00 0.00 -0.292 NA ATOM 17 C LIG 1 4.874 1.262 2.275 0.00 0.00 +0.113 C ATOM 18 C LIG 1 5.061 0.661 3.679 0.00 0.00 +0.175 C ATOM 19 O LIG 1 6.447 0.595 4.035 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 7.156 -0.206 3.082 0.00 0.00 +0.175 C ATOM 21 C LIG 1 7.025 0.377 1.666 0.00 0.00 +0.113 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 22 ATOM 22 C LIG 1 -1.630 -0.911 -2.888 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.779 -0.768 -1.865 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.986 -1.202 -2.511 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -4.221 -0.528 -3.173 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -2.928 0.681 -1.333 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.844 0.923 -0.202 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.256 0.655 -0.506 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.175 0.966 0.660 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.681 0.985 1.978 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -6.553 1.236 3.045 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.913 1.442 2.809 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.409 1.403 1.508 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.205 0.804 2.232 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.546 1.163 0.438 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.457 0.217 1.024 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7