REMARK Name = BDB004828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.345 -1.712 0.382 0.00 0.00 +0.099 C ATOM 2 C LIG 1 1.714 -3.138 0.802 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.169 -1.064 -1.030 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.052 -1.081 -0.181 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.142 -1.724 -0.557 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.200 -2.351 -1.810 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -0.907 -2.342 -2.655 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.087 -1.703 -2.266 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 -4.504 -0.186 -1.249 0.00 0.00 +0.248 C ATOM 10 N LIG 1 -3.324 -0.401 -0.560 0.00 0.00 -0.281 N ATOM 11 H LIG 1 -3.243 0.017 0.357 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 -4.738 -0.467 -2.418 0.00 0.00 -0.270 OA BRANCH 9 18 ATOM 13 C LIG 1 -8.717 2.555 1.661 0.00 0.00 +0.045 C ATOM 14 C LIG 1 -7.618 1.829 0.937 0.00 0.00 -0.032 A ATOM 15 C LIG 1 -6.779 0.911 1.589 0.00 0.00 +0.045 A ATOM 16 CL LIG 1 -6.962 0.559 3.271 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -5.764 0.246 0.894 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -5.571 0.501 -0.467 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -6.414 1.397 -1.132 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -7.426 2.059 -0.433 0.00 0.00 +0.005 A ENDBRANCH 9 18 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 N LIG 1 2.463 -1.069 -0.318 0.00 0.00 -0.322 N ATOM 22 H LIG 1 2.123 -0.332 -0.932 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.498 -0.529 0.475 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.609 0.069 -0.158 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.601 0.610 0.684 0.00 0.00 +0.088 A ATOM 26 C LIG 1 6.713 1.224 0.070 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.835 1.286 -1.332 0.00 0.00 +0.015 A ATOM 28 C LIG 1 5.861 0.737 -2.150 0.00 0.00 +0.002 A ATOM 29 N LIG 1 5.472 0.528 2.028 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 4.389 -0.084 2.519 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.758 0.131 -1.566 0.00 0.00 +0.013 A ATOM 32 N LIG 1 3.396 -0.614 1.809 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 7.835 1.848 0.840 0.00 0.00 +0.244 C ATOM 34 O LIG 1 8.788 2.374 0.275 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 7.784 1.823 2.202 0.00 0.00 -0.325 N ATOM 36 H LIG 1 7.011 1.376 2.686 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.544 2.227 2.729 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6