REMARK Name = BDB021520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.032 0.144 -0.345 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -3.055 -0.315 -1.234 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.744 0.166 -1.171 0.00 0.00 +0.137 A ATOM 4 O LIG 1 -0.892 -0.271 -2.143 0.00 0.00 -0.484 OA ATOM 5 C LIG 1 0.265 -1.011 -1.704 0.00 0.00 +0.121 C ATOM 6 C LIG 1 0.863 -0.575 -0.346 0.00 0.00 +0.155 C ATOM 7 N LIG 1 1.041 0.871 -0.245 0.00 0.00 -0.291 N ATOM 8 C LIG 1 -0.051 1.728 -0.133 0.00 0.00 +0.250 C ATOM 9 O LIG 1 0.044 2.936 0.072 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.117 -2.498 -1.643 0.00 0.00 +0.057 C ATOM 11 C LIG 1 1.309 -0.817 -2.816 0.00 0.00 +0.057 C ATOM 12 C LIG 1 -1.408 1.138 -0.229 0.00 0.00 +0.079 A ATOM 13 C LIG 1 -2.387 1.607 0.657 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.691 1.104 0.607 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 -5.260 -0.433 -0.506 0.00 0.00 -0.489 OA BRANCH 15 20 ATOM 16 C LIG 1 -9.786 -0.971 2.227 0.00 0.00 +0.104 C ATOM 17 N LIG 1 -8.871 -1.255 1.125 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -8.886 -0.168 0.137 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -7.618 -0.154 -0.708 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.390 0.140 0.166 0.00 0.00 +0.176 C ATOM 21 C LIG 1 -6.541 -0.449 1.577 0.00 0.00 +0.060 C ATOM 22 C LIG 1 -7.527 -1.616 1.594 0.00 0.00 +0.087 C ENDBRANCH 15 20 ENDBRANCH 1 15 BRANCH 7 23 ATOM 23 C LIG 1 2.384 1.398 0.019 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 2.928 1.049 1.420 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 1.938 1.357 2.417 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.322 1.178 3.291 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.236 1.805 1.768 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 5.467 1.581 1.006 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 5.782 0.169 0.764 0.00 0.00 +0.120 C ATOM 30 C LIG 1 7.072 -0.039 -0.003 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.650 1.007 -0.746 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.826 0.779 -1.472 0.00 0.00 +0.004 A ATOM 33 C LIG 1 9.412 -0.486 -1.484 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.833 -1.530 -0.766 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.042 2.387 -0.703 0.00 0.00 +0.051 C ATOM 36 C LIG 1 7.668 -1.309 -0.030 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.584 2.374 -0.219 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 7