REMARK Name = BDB064458 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.147 -0.296 -2.541 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -1.344 1.233 -2.707 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -1.429 1.777 -3.812 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.459 2.017 -1.589 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -1.347 3.002 -1.793 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -1.610 1.601 -0.263 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.152 0.367 0.127 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -2.166 0.022 1.491 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -1.721 0.923 2.459 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.267 2.179 2.075 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.816 -0.566 -0.839 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -1.214 2.517 0.722 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.365 -0.890 -2.003 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.117 -1.192 -0.434 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.098 -0.451 0.236 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.303 -1.056 0.597 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.535 -2.395 0.281 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.569 -3.130 -0.405 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.362 -2.529 -0.768 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 1.581 0.244 -3.043 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 1.247 -0.539 -2.167 0.00 0.00 +0.246 C ATOM 22 N LIG 1 -0.040 -0.741 -1.730 0.00 0.00 -0.282 N ATOM 23 H LIG 1 -0.219 -1.602 -1.236 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 2.248 -1.411 -1.521 0.00 0.00 +0.041 A ATOM 25 C LIG 1 2.608 -1.264 -0.171 0.00 0.00 -0.021 A ATOM 26 C LIG 1 3.512 -2.196 0.373 0.00 0.00 +0.005 A ATOM 27 C LIG 1 4.059 -3.214 -0.412 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.713 -3.322 -1.758 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.808 -2.421 -2.315 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 2.077 -0.144 0.702 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.149 0.625 1.360 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 3.955 1.377 0.366 0.00 0.00 +0.113 C ATOM 33 C LIG 1 4.675 2.576 1.002 0.00 0.00 +0.175 C ATOM 34 O LIG 1 3.769 3.555 1.535 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 2.506 2.997 1.918 0.00 0.00 +0.175 C ATOM 36 C LIG 1 2.615 1.540 2.390 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5