REMARK Name = BDB041386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.154 1.145 -0.859 0.00 0.00 -0.019 A ATOM 2 C LIG 1 0.175 1.314 -2.231 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.284 0.684 -2.808 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.412 0.992 -4.205 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.434 1.842 -4.656 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.102 -0.131 -1.990 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.837 -0.305 -0.623 0.00 0.00 -0.038 A ATOM 8 S LIG 1 -0.639 2.283 -3.415 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.726 0.347 -0.085 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.348 1.798 -0.175 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 -3.585 -0.833 1.504 0.00 0.00 +0.007 C ATOM 12 C LIG 1 -2.326 -0.182 0.893 0.00 0.00 +0.089 C ATOM 13 N LIG 1 -2.559 0.972 0.021 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -3.185 0.603 -1.260 0.00 0.00 +0.140 C ATOM 15 C LIG 1 -4.690 0.403 -1.199 0.00 0.00 +0.062 A ATOM 16 C LIG 1 -5.272 -0.606 -0.422 0.00 0.00 -0.024 A ATOM 17 C LIG 1 -6.667 -0.753 -0.471 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -7.430 0.098 -1.259 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -6.759 1.058 -1.975 0.00 0.00 +0.213 A ATOM 20 N LIG 1 -5.431 1.237 -1.982 0.00 0.00 -0.216 NA ATOM 21 C LIG 1 -4.456 -1.527 0.443 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 -5.447 -0.509 3.236 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -4.344 0.152 2.420 0.00 0.00 +0.002 C ENDBRANCH 11 23 BRANCH 19 24 ATOM 24 O LIG 1 -7.433 1.927 -2.766 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 -6.682 2.454 -3.094 0.00 0.00 +0.294 HD ENDBRANCH 19 24 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.796 -1.170 0.201 0.00 0.00 +0.061 C BRANCH 26 27 ATOM 27 C LIG 1 4.125 -0.457 0.468 0.00 0.00 -0.016 A ATOM 28 C LIG 1 5.376 -1.065 0.180 0.00 0.00 -0.014 A ATOM 29 C LIG 1 5.492 -2.435 -0.422 0.00 0.00 +0.046 C ATOM 30 C LIG 1 6.520 -0.304 0.491 0.00 0.00 +0.135 A ATOM 31 N LIG 1 7.860 -0.563 0.346 0.00 0.00 -0.128 NA ATOM 32 N LIG 1 8.538 0.488 0.797 0.00 0.00 -0.063 NA ATOM 33 N LIG 1 7.635 1.397 1.222 0.00 0.00 -0.230 N ATOM 34 C LIG 1 8.072 2.651 1.767 0.00 0.00 +0.176 C ATOM 35 C LIG 1 6.356 0.951 1.056 0.00 0.00 +0.179 A ATOM 36 N LIG 1 5.206 1.575 1.366 0.00 0.00 -0.234 NA ATOM 37 C LIG 1 4.122 0.826 1.047 0.00 0.00 +0.117 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 2.255 -1.731 1.527 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 1.102 -2.669 1.315 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -0.033 -2.514 1.733 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 1.440 -3.773 0.625 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 0.612 -4.299 0.581 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 7 26 TORSDOF 9