REMARK Name = BDB028753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.569 -0.643 -0.597 0.00 0.00 -0.304 N ATOM 2 C LIG 1 -1.346 0.803 -0.272 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -0.038 1.354 -0.910 0.00 0.00 +0.135 C ATOM 4 N LIG 1 1.151 0.585 -0.529 0.00 0.00 -0.294 N ATOM 5 C LIG 1 2.388 1.211 -0.589 0.00 0.00 +0.247 C ATOM 6 O LIG 1 2.549 2.352 -1.016 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.951 -0.861 -0.362 0.00 0.00 +0.127 C ATOM 8 C LIG 1 -0.346 -1.365 -1.026 0.00 0.00 +0.126 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -3.527 -1.583 0.526 0.00 0.00 +0.066 A ATOM 10 C LIG 1 -2.138 -1.291 0.542 0.00 0.00 +0.143 A ATOM 11 N LIG 1 -1.339 -1.643 1.577 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 -1.927 -2.247 2.639 0.00 0.00 +0.133 A ATOM 13 C LIG 1 -3.282 -2.521 2.724 0.00 0.00 +0.061 A ATOM 14 CL LIG 1 -3.942 -3.268 4.121 0.00 0.00 -0.082 Cl ATOM 15 C LIG 1 -4.096 -2.172 1.656 0.00 0.00 +0.047 A BRANCH 9 16 ATOM 16 N LIG 1 -4.360 -1.139 -0.518 0.00 0.00 -0.355 N ATOM 17 H LIG 1 -3.798 -0.897 -1.336 0.00 0.00 +0.142 HD ATOM 18 H LIG 1 -5.144 -1.746 -0.727 0.00 0.00 +0.142 HD ENDBRANCH 9 16 ENDBRANCH 1 10 BRANCH 2 19 ATOM 19 C LIG 1 -2.539 1.628 -0.742 0.00 0.00 -0.025 A ATOM 20 C LIG 1 -2.900 1.687 -2.100 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.999 2.445 -2.513 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.749 3.146 -1.571 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -6.104 4.075 -2.080 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -4.410 3.095 -0.222 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -3.311 2.339 0.192 0.00 0.00 +0.007 A ENDBRANCH 2 19 BRANCH 5 26 ATOM 26 C LIG 1 3.590 0.480 -0.125 0.00 0.00 +0.037 A ATOM 27 C LIG 1 3.640 -0.087 1.154 0.00 0.00 +0.014 A ATOM 28 C LIG 1 4.796 -0.748 1.573 0.00 0.00 +0.016 A ATOM 29 C LIG 1 5.909 -0.813 0.726 0.00 0.00 +0.059 A ATOM 30 C LIG 1 5.863 -0.239 -0.552 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.704 0.419 -0.971 0.00 0.00 +0.014 A BRANCH 29 32 ATOM 32 C LIG 1 7.116 -1.525 1.203 0.00 0.00 +0.337 C ATOM 33 O LIG 1 7.066 -2.572 1.822 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 8.261 -0.871 0.916 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 8.140 0.034 0.573 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 6